Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20178351

Structure

InChI Key ISIUXVGHQFJYHM-UHFFFAOYSA-N
Smiles N=1C=C(N)C=2C=CC=CC2C1
InChI
InChI=1/C9H8N2/c10-9-6-11-5-7-3-1-2-4-8(7)9/h1-6H,10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H8N2
Molecular Weight 144.07
AlogP 1.82
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 38.91
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 23687-25-4
NORMAN SUSDAT
PubChem 90237