Keyword(s): Human Neurotoxin
Molecule Category Free-form
EPA CompTox DTXSID80584015

Structure

InChI Key PAYRUJLWNCNPSJ-PTQBSOBMSA-N
Smiles N[13C]1=CC=CC=C1
InChI
InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2/i6+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C5[13C]H7N
Molecular Weight 94.06
AlogP 1.27
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 26.02
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 18960-62-8
NORMAN SUSDAT