2-INDOLINONE, 1-METHYL-

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII BKN6HNS2AW
EPA CompTox DTXSID60209850

Structure

InChI Key RSQUAQMIGSMNNE-UHFFFAOYSA-N
Smiles CN1C(=O)CC2=CC=CC=C21
InChI
InChI=1S/C9H9NO/c1-10-8-5-3-2-4-7(8)6-9(10)11/h2-5H,6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H9N1O1
Molecular Weight 147.07
AlogP 1.21
Hydrogen Bond Acceptor 1.0
Polar Surface Area 20.31
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 61-70-1
NORMAN SUSDAT
FDA SRS BKN6HNS2AW
PubChem 6096
ChemSpider 5871.0
CONTENTS