Compound Summary (CID 5282122) |
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  Compound Information CID 5282122 Create Date: 2005-06-24 Suppressed Compound Properties and Descriptors | Properties | | | | Molecular Weight | | 207.18276 [g/mol] | | Molecular Formula | | C10H9NO4 | | XLogP3-AA | | 0.9 | | H-Bond Donor | | 3 | | H-Bond Acceptor | | 5 | | Rotatable Bond Count | | 0 | | | | | Exact Mass | | 207.053158 | | MonoIsotopic Mass | | 207.053158 | | Topological Polar Surface Area | | 92.8 | | Heavy Atom Count | | 15 | | Formal Charge | | 0 | | Complexity | | 325 | | 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 | | 1 | | | | | Feature 3D Acceptor Count | | 2 | | Feature 3D Donor Count | | 3 | | Feature 3D Cation Count | | 1 | | Feature 3D Ring Count | | 2 | | Effective Rotor Count | | 0 | | Conformer Sampling RMSD | | 0.4 | | CID Conformer Count | | 1 |
| Descriptors | | | | IUPAC Name | | | | Canonical SMILES | | | | Isomeric SMILES | | |
Old Version Substance Information SID 582856, Version: 2, Same
SID 582856, Version: 3, Same
SID 582856, Version: 4, Same
SID 52437253, Version: 1, Same
SID 91884765, Version: 1, Same
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