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decanoic acid - Substance Summary (SID 152752)


Drug and Chemical Information: (Total:1)         

Pharmacological Action

Antifungal Agents - Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues.


  Pharmacological Classification
Chemical Actions and Uses
      Pharmacologic Actions
            Therapeutic Uses
                  Anti-Infective Agents
                        Antifungal Agents


Safety and Toxicology

HSDB - Peer-reviewed summary of toxicity and biomedical effects

CCRIS - Carcinogenicity, tumor promotion, tumor inhibition, and mutagenicity tests

EINECS - European Inventory of Existing Commercial Chemical Substances

TOXLINE - Citations to the toxicological literature

NTP DBS - Toxicological assay results


Literature

Literature Keyword Mining Tool



Data Source:   

Depositor: ChemIDplus
External ID: 000334485

Depositor-Supplied Synonyms: (Total: 28)
Display: Next 10 | All | Sort:
Decanoic acid
CAPRIC ACID
n-Decanoic acid
n-Capric acid
Decylic acid
Caprinic acid
Decoic acid
Caprynic acid
n-Decylic acid
n-Decoic acid


Properties Computed from Structure:
Molecular Weight172.2646 [g/mol]
Molecular FormulaC10H20O2
XLogP34.1
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count8
Exact Mass172.14633
MonoIsotopic Mass172.14633
Topological Polar Surface Area37.3
Heavy Atom Count12
Formal Charge0
Complexity110
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: decanoic acid
Canonical SMILES: CCCCCCCCCC(=O)O
InChI: InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
InChIKey: GHVNFZFCNZKVNT-UHFFFAOYSA-N


Substance Information:
SID 152752   
Deposit Date: 2005-08-08
Modify Date: 2006-04-28

CID 2969   
Create Date: 2004-09-16

Related Substances:
Same: 54 Links
Same, Connectivity: 73 Links

Similar Substances: 2776 Links

     
Compound Displayed

2D

3D

Compound ID2969
Molecular Weight172.2646 [g/mol]
Molecular FormulaC10H20O2
XLogP34.1
H-Bond Donor1
H-Bond Acceptor2


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