Keyword(s): Natural Toxins
Molecule Category Free-form
EPA CompTox DTXSID70186401

Structure

InChI Key ZZLHPCSGGOGHFW-KTCWOMIQSA-N
Smiles C[S@](=O)C[C@H](N)C(O)=O
InChI
InChI=1S/C4H9NO3S/c1-9(8)2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-,9-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H9NO3S
Molecular Weight 151.03
AlogP -1.22
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 80.39
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 32726-14-0
NORMAN SUSDAT
PubChem 9578071
ChemSpider 7852435.0