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indan - Compound Summary (CID 10326)

structure in first source


Drug and Chemical Information: (Total:1)         

Safety and Toxicology

EINECS - European Inventory of Existing Commercial Chemical Substances

TOXLINE - Citations to the toxicological literature


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BioActivity Results:
Tested in BioAssays: All: 6   Inactive: 6
BioActivity Summary: This Compound   with Similar Compounds

AID: 175 Source: DTP/NCI
NCI Yeast Anticancer Drug Screen. Data for the mlh1 rad18 strain

AID: 167 Source: DTP/NCI
NCI Yeast Anticancer Drug Screen. Data for the bub3 strain

AID: 165 Source: DTP/NCI
NCI Yeast Anticancer Drug Screen. Data for the cln2 rad14 strain

AID: 161 Source: DTP/NCI
NCI Yeast Anticancer Drug Screen. Data for the sgs1 mgt1 strain

more ...

Depositor-Supplied Synonyms: (Total: 27)
Display: Next 10 | All | Sort:
Indane
Hydrindene
Benzocyclopentane
INDAN
Hydrindonaphthene
1,2-Hydrindene
2,3-Dihydroindene
Indane (alkane)
Indane (VAN)
1H-Indene, 2,3-dihydro-


Properties Computed from Structure:
Molecular Weight118.1757 [g/mol]
Molecular FormulaC9H10
XLogP33.2
H-Bond Donor0
H-Bond Acceptor0
Rotatable Bond Count0
Exact Mass118.07825
MonoIsotopic Mass118.07825
Topological Polar Surface Area0
Heavy Atom Count9
Formal Charge0
Complexity84.2
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1


Descriptors Computed from Structure:
IUPAC Name: 2,3-dihydro-1H-indene
Canonical SMILES: C1CC2=CC=CC=C2C1
InChI: InChI=1S/C9H10/c1-2-5-9-7-3-6-8(9)4-1/h1-2,4-5H,3,6-7H2
InChIKey: PQNFLJBBNBOBRQ-UHFFFAOYSA-N


Compound Information:
CID 10326   
Create Date: 2005-03-26

Related Compounds:
Same, Connectivity: 2 Links

Similar Compounds: 411 Links
Similar Conformers: 17402 Links    View Conformers


Substance Information:
Substances:
    All: 73 Links
    Same structure: 29 Links
    Mixture: 44 Links

Category: [for same structure substances]
Biological Properties: 6 Links
   ChEBI ( 1 )
SID 24434779 - External ID: CHEBI:37911
   Comparative Toxicogenomics Database ( 1 )
SID 53788322 - External ID: C093582
   DiscoveryGate ( 1 )
SID 8157451 - External ID: 10326
   DTP/NCI ( 1 )
SID 71428 - External ID: 5292
   LeadScope ( 1 )
SID 49982061 - External ID: LS-81029
   NextBio ( 1 )
SID 50823449 - External ID: 10326

Chemical Reactions: 2 Links
   ChemSynthesis ( 1 )
SID 56280344 - External ID: 10368
   Comparative Toxicogenomics Database ( 1 )
SID 53788322 - External ID: C093582

Journal Publishers: 1 Link
   Thomson Pharma ( 1 )
SID 15165126 - External ID: 00368864

Metabolic Pathways: 1 Link
   Comparative Toxicogenomics Database ( 1 )
SID 53788322 - External ID: C093582

Physical Properties: 7 Links
   ChemExper Chemical Directory ( 1 )
SID 3133530 - External ID: HiT@@DjYVnXPbH`@@
   ChemSynthesis ( 1 )
SID 56280344 - External ID: 10368
   MP Biomedicals ( 2 )
SID 56368741 - External ID: 201638
SID 56437129 - External ID: 203995
   NIST ( 1 )
SID 10393509 - External ID: 2272521292
   NIST Chemistry WebBook ( 1 )
SID 10524111 - External ID: 2272521292
   NMRShiftDB ( 1 )
SID 589361 - External ID: 10016525

Substance Vendors: 16 Links
   ChemExper Chemical Directory ( 1 )
SID 3133530 - External ID: HiT@@DjYVnXPbH`@@
   ChemSpider ( 9 )   
   ChemSynthesis ( 1 )
SID 56280344 - External ID: 10368
   MP Biomedicals ( 2 )
SID 56368741 - External ID: 201638
SID 56437129 - External ID: 203995
   Sigma-Aldrich ( 3 )
SID 24869404 - External ID: 45789_RIEDEL
SID 24880448 - External ID: 56850_FLUKA
SID 24895949 - External ID: I1804_ALDRICH

Theoretical Properties: 1 Link
   ChemDB ( 1 )
SID 4461385 - External ID: 6529409

Toxicology: 3 Links
   ChemIDplus ( 2 )
SID 153597 - External ID: 000496117
SID 686131 - External ID: 056573116
   Comparative Toxicogenomics Database ( 1 )
SID 53788322 - External ID: C093582
     

2D

3D
Compound ID10326
Molecular Weight118.1757 [g/mol]
Molecular FormulaC9H10
XLogP33.2
H-Bond Donor0
H-Bond Acceptor0


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