Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50955314

Structure

InChI Key DZGMFITYAJIDHR-UHFFFAOYSA-N
Smiles O=C(N)C1C=2C=CC=CC2CC1
InChI
InChI=1/C10H11NO/c11-10(12)9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6H2,(H2,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H11NO
Molecular Weight 161.08
AlogP 2.25
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 44.08
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 33695-57-7
NORMAN SUSDAT
PubChem 118099