Keyword(s): Human Metabolites
Molecule Category Free-form
UNII KZA7QNW5HV
EPA CompTox DTXSID201275315

Structure

InChI Key YFDVQUUMKXZPLK-UHFFFAOYSA-N
Smiles ON=C1C=2C=CC=CC2CCC1
InChI
InChI=1/C10H11NO/c12-11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,12H,3,5,7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H11NO
Molecular Weight 161.08
AlogP 2.2
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 32.59
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 3349-64-2
NORMAN SUSDAT
FDA SRS KZA7QNW5HV
PubChem 76876