Compound Summary (CID 3033539) |
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  Compound Information CID 3033539 Create Date: 2005-03-26 Suppressed Compound Properties and Descriptors | Properties | | | | Molecular Weight | | 322.31146 [g/mol] | | Molecular Formula | | C19H14O5 | | XLogP3-AA | | 3.3 | | H-Bond Donor | | 1 | | H-Bond Acceptor | | 5 | | Rotatable Bond Count | | 4 | | | | | Exact Mass | | 322.084124 | | MonoIsotopic Mass | | 322.084124 | | Topological Polar Surface Area | | 72.8 | | Heavy Atom Count | | 24 | | Formal Charge | | 0 | | Complexity | | 575 | | Isotope Atom Count | | 0 | | Defined Atom Stereocenter Count | | 0 | | Undefined Atom Stereocenter Count | | 0 | | Defined Bond Stereocenter Count | | 1 | | Undefined Bond Stereocenter Count | | 0 | | Covalently-Bonded Unit Count | | 1 | | | | | Feature 3D Acceptor Count | | 3 | | Feature 3D Donor Count | | 1 | | Feature 3D Ring Count | | 3 | | Effective Rotor Count | | 4.2 | | Conformer Sampling RMSD | | 0.8 | | CID Conformer Count | | 4 |
| Descriptors | | | | IUPAC Name | | | | Canonical SMILES | | | | Isomeric SMILES | | |
Old Version Substance Information SID 71912, Version: 1, Same
SID 71912, Version: 2, Same
SID 189987, Version: 2, Same
SID 189987, Version: 3, Same
SID 333431, Version: 1, Same
SID 71960618, Version: 1, Same
SID 87322875, Version: 1, Same
SID 91616575, Version: 1, Same
SID 95703834, Version: 1, Same
SID 103580897, Version: 1, Same
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