[Go]
PubMed | Entrez | Structure | PubChem | Help
PubChem  » Substance Summary
 


chlomizole - Substance Summary (SID 100175)

Russian drug.; structure


Drug and Chemical Information: (Total:1)         



Data Source:   
Depositor: DTP/NCI
External ID: 46945

Depositor-Supplied Synonyms: (Total: 9)
Sort:
Chloronizole
Chlomizole
Khlomizol
Imidazole, 4-chloro-1-methyl-5-nitro-
WLN: T5N CNJ A1 DG ENW
NSC46945
4-CHLORO-1-METHYL-5-NITROIMIDAZOLE
1H-Imidazole, 4-chloro-1-methyl-5-nitro-
4897-31-8


Properties Computed from Structure:
Molecular Weight161.54646 [g/mol]
Molecular FormulaC4H4ClN3O2
XLogP30.7
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count0
Exact Mass160.999204
MonoIsotopic Mass160.999204
Topological Polar Surface Area61
Heavy Atom Count10
Formal Charge0
Complexity148
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: 4-chloro-1-methyl-5-nitroimidazole
Canonical SMILES: CN1C=NC(=C1[N+](=O)[O-])Cl
InChI: InChI=1S/C4H4ClN3O2/c1-7-2-6-3(5)4(7)8(9)10/h2H,1H3
InChIKey: BYQOKNIMGIDSHN-UHFFFAOYSA-N


Substance Information:
SID 100175   
Deposit Date: 2005-03-26
Modify Date: 2008-02-29

CID 21011   
Create Date: 2005-03-26

Related Substances:
Same: 10 Links

Similar Substances: 57 Links


Depositor-Supplied Comments:
DTP/NCI from molfile. Release-June 2007.
Structure Evaluation:Consistent with Molecular Formula.
Deposition record created from database webdb on host dtpiv1.ncifcrf.gov on Feb 22, 2008
     
Compound Displayed

2D

3D
Compound ID21011
Molecular Weight161.54646 [g/mol]
Molecular FormulaC4H4ClN3O2
XLogP30.7
H-Bond Donor0
H-Bond Acceptor4


 Write to Helpdesk | Disclaimer | Privacy statement | Accessibility