1H-INDOLE-3-CARBOXALDEHYDE, 2-METHYL-

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII R0Y4EK4FX7
EPA CompTox DTXSID1063853

Structure

InChI Key CYZIVXOEJNAIBS-UHFFFAOYSA-N
Smiles Cc1c(C=O)c2c([nH]1)cccc2
InChI
InChI=1S/C10H9NO/c1-7-9(6-12)8-4-2-3-5-10(8)11-7/h2-6,11H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H9N1O1
Molecular Weight 159.07
AlogP 2.29
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 32.86
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 5416-80-8
NORMAN SUSDAT
FDA SRS R0Y4EK4FX7
PubChem 73166
ChemSpider 65933.0
CONTENTS