Compound Summary (CID 22095) |
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  Compound Information CID 22095 Create Date: 2005-03-27 Suppressed Compound Properties and Descriptors | Properties | | | | Molecular Weight | | 292.32854 [g/mol] | | Molecular Formula | | C19H16O3 | | XLogP3-AA | | 4.2 | | H-Bond Donor | | 1 | | H-Bond Acceptor | | 3 | | Rotatable Bond Count | | 1 | | | | | Exact Mass | | 292.109944 | | MonoIsotopic Mass | | 292.109944 | | Topological Polar Surface Area | | 46.5 | | Heavy Atom Count | | 22 | | Formal Charge | | 0 | | Complexity | | 481 | | Isotope Atom Count | | 0 | | Defined Atom Stereocenter Count | | 0 | | Undefined Atom Stereocenter Count | | 1 | | Defined Bond Stereocenter Count | | 0 | | Undefined Bond Stereocenter Count | | 0 | | Covalently-Bonded Unit Count | | 1 | | | | | Feature 3D Acceptor Count | | 2 | | Feature 3D Donor Count | | 1 | | Feature 3D Ring Count | | 4 | | Effective Rotor Count | | 1.8 | | Conformer Sampling RMSD | | 0.6 | | CID Conformer Count | | 6 |
| Descriptors | | | | IUPAC Name | | | | Canonical SMILES | | | | Isomeric SMILES | | |
Old Version Substance Information SID 39120, Version: 1, Same
SID 164788, Version: 1, Same
SID 164788, Version: 2, Same
SID 164788, Version: 3, Same
SID 383153, Version: 1, Same
SID 24868877, Version: 1, Same
SID 96023330, Version: 1, Same
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