Keyword(s): Human Neurotoxin
Molecule Category Salt-form
UNII LQ7CF8AVM8
EPA CompTox DTXSID30212098

Structure

InChI Key KKRSNTURHSOKTM-UHFFFAOYSA-N
Smiles Cl.NC1=CC(C(O)=O)=C(O)C=C1
InChI
InChI=1S/C7H7NO3.ClH/c8-4-1-2-6(9)5(3-4)7(10)11;/h1-3,9H,8H2,(H,10,11);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H8ClNO3
Molecular Weight 189.02
AlogP 1.09
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 83.55
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 6291-36-7
NORMAN SUSDAT
FDA SRS LQ7CF8AVM8