Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 954V65150U

Structure

InChI Key NLPWTTIYIIOESZ-UHFFFAOYSA-L
Smiles CCNCC.Nc1ccc(cc1)[Sb](O)(O)=O
InChI
InChI=1S/C6H6N.2H2O.O.Sb/c7-6-4-2-1-3-5-6;;;;/h2-5H,7H2;2*1H2;;/q;;;;+2/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H8N1O3Sb1
Molecular Weight 262.95
AlogP -0.1
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Polar Surface Area 114.52
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 5959-10-4
NORMAN SUSDAT
FDA SRS 954V65150U