Compound Information
CID 3033368
Create Date: 2005-08-08
Suppressed Compound
Properties and Descriptors
Properties
Molecular Weight 310.411229 [g/mol]
Molecular FormulaC12H19N2NaO2S2
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count6
Exact Mass310.078564
MonoIsotopic Mass310.078564
Topological Polar Surface Area122
Heavy Atom Count19
Formal Charge0
Complexity371
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Descriptors
IUPAC Name
Canonical SMILES
Isomeric SMILES
Old Version Substance Information