Keyword(s): Human Metabolites
Molecule Category Free-form
UNII PJ4M78J3XW

Structure

InChI Key GYESAYHWISMZOK-UHFFFAOYSA-N
Smiles OC1=CC=CC2=NC=CC=C12
InChI
InChI=1/C9H7NO/c11-9-5-1-4-8-7(9)3-2-6-10-8/h1-6,11H

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H7NO
Molecular Weight 145.05
AlogP 1.94
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 33.12
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 578-67-6
NORMAN SUSDAT
FDA SRS PJ4M78J3XW
PubChem 135441757