Compound Summary (CID 24181121) |
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  Compound Information CID 24181121 Create Date: 2008-02-29 Suppressed Compound Properties and Descriptors | Properties | | | | Molecular Weight | | 446.410089 [g/mol] | | Molecular Formula | | C16H13N3NaO7S2+ | | H-Bond Donor | | 4 | | H-Bond Acceptor | | 10 | | Rotatable Bond Count | | 4 | | | | | Exact Mass | | 446.009261 | | MonoIsotopic Mass | | 446.009261 | | Topological Polar Surface Area | | 193 | | Heavy Atom Count | | 29 | | Formal Charge | | 1 | | Complexity | | 894 | | Isotope Atom Count | | 0 | | Defined Atom Stereocenter Count | | 0 | | Undefined Atom Stereocenter Count | | 0 | | Defined Bond Stereocenter Count | | 0 | | Undefined Bond Stereocenter Count | | 1 | | Covalently-Bonded Unit Count | | 2 | | | |
| Descriptors | | | | IUPAC Name | | | | Canonical SMILES | | | | Isomeric SMILES | | |
Old Version Substance Information |
