Keyword(s): Human Metabolites
Molecule Category Salt-form

Structure

InChI Key RWNHRLZFUHPJQN-FHNDMYTFSA-N
Smiles Cl.Cl.NCCN[C@@H](CS)C(=O)O
InChI
InChI=1/C5H12N2O2S.2ClH/c6-1-2-7-4(3-10)5(8)9;;/h4,7,10H,1-3,6H2,(H,8,9);2*1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H14Cl2N2O2S
Molecular Weight 236.02
AlogP -0.24
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 5.0
Polar Surface Area 75.35
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 63905-31-7
NORMAN SUSDAT