1H-INDOLE, 2-METHYL-

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII I7CN58827I
EPA CompTox DTXSID5059117

Structure

InChI Key BHNHHSOHWZKFOX-UHFFFAOYSA-N
Smiles CC1=CC2=CC=CC=C2N1
InChI
InChI=1S/C9H9N/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6,10H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H9N1
Molecular Weight 131.07
AlogP 2.48
Hydrogen Bond Donor 1.0
Polar Surface Area 15.79
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 95-20-5
NORMAN SUSDAT
FDA SRS I7CN58827I
PubChem 7224
ChemSpider 6954.0
CONTENTS