Compound Information
CID 2802158
Create Date: 2005-07-19
Suppressed Compound
Properties and Descriptors
Properties
Molecular Weight 269.296329 [g/mol]
Molecular FormulaC7H4NNaO3S3
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count0
Exact Mass268.9251
MonoIsotopic Mass268.9251
Topological Polar Surface Area135
Heavy Atom Count15
Formal Charge0
Complexity334
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Descriptors
IUPAC Name
Canonical SMILES
Isomeric SMILES
Old Version Substance Information