Keyword(s): Human Metabolites
Molecule Category Free-form
UNII SPY6X504VM

Structure

InChI Key GPIUUMROPXDNRH-RNGGSSJXSA-N
Smiles O=C1NC(=O)[C@H]2[C@H]3C[C@H](C=C3)[C@@H]12
InChI
InChI=1S/C9H9NO2/c11-8-6-4-1-2-5(3-4)7(6)9(12)10-8/h1-2,4-7H,3H2,(H,10,11,12)/t4-,5+,6+,7-

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H9N1O2
Molecular Weight 163.06
AlogP 0.92
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 49.66
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 6319-06-8
NORMAN SUSDAT
FDA SRS SPY6X504VM