Compound Summary (CID 76494) |
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  Compound Information CID 76494 Create Date: 2005-08-08 Suppressed Compound Properties and Descriptors | Properties | | | | Molecular Weight | | 229.272309 [g/mol] | | Molecular Formula | | C8H16NNaO3S | | H-Bond Donor | | 1 | | H-Bond Acceptor | | 4 | | Rotatable Bond Count | | 3 | | | | | Exact Mass | | 229.074859 | | MonoIsotopic Mass | | 229.074859 | | Topological Polar Surface Area | | 77.6 | | Heavy Atom Count | | 14 | | Formal Charge | | 0 | | Complexity | | 213 | | Isotope Atom Count | | 0 | | Defined Atom Stereocenter Count | | 0 | | Undefined Atom Stereocenter Count | | 0 | | Defined Bond Stereocenter Count | | 0 | | Undefined Bond Stereocenter Count | | 0 | | Covalently-Bonded Unit Count | | 2 | | | |
| Descriptors | | | | IUPAC Name | | | | Canonical SMILES | | | | Isomeric SMILES | | |
Old Version Substance Information |
