1H-INDOLE, 2,3-DIMETHYL-

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII TFW7O9HWZK
EPA CompTox DTXSID6059027

Structure

InChI Key PYFVEIDRTLBMHG-UHFFFAOYSA-N
Smiles Cc1c(C)c2c([nH]1)cccc2
InChI
InChI=1S/C10H11N/c1-7-8(2)11-10-6-4-3-5-9(7)10/h3-6,11H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H11N1
Molecular Weight 145.09
AlogP 2.78
Hydrogen Bond Donor 1.0
Polar Surface Area 15.79
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 91-55-4
NORMAN SUSDAT
FDA SRS TFW7O9HWZK
PubChem 7053
ChemSpider 6786.0
CONTENTS