Keyword(s): Human Metabolites
Molecule Category Free-form
UNII VZ4JPF9Y7Z
EPA CompTox DTXSID7064491

Structure

InChI Key IIVYBNBDIDWPQV-UHFFFAOYSA-N
Smiles CCN=Cc1ccccc1
InChI
InChI=1S/C9H11N/c1-2-10-8-9-6-4-3-5-7-9/h3-8H,2H2,1H3/b10-8+

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H11N1
Molecular Weight 133.09
AlogP 2.13
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 12.36
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 6852-54-6
NORMAN SUSDAT
FDA SRS VZ4JPF9Y7Z
PubChem 111239
ChemSpider 99824.0