Compound Summary (CID 5479847) |
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  Compound Information CID 5479847 Create Date: 2005-08-01 Suppressed Compound Properties and Descriptors | Properties | | | | Molecular Weight | | 270.20727 [g/mol] | | Molecular Formula | | C12H9F3N2O2 | | XLogP3-AA | | 3.5 | | H-Bond Donor | | 2 | | H-Bond Acceptor | | 7 | | Rotatable Bond Count | | 3 | | | | | Exact Mass | | 270.061612 | | MonoIsotopic Mass | | 270.061612 | | Topological Polar Surface Area | | 73.1 | | Heavy Atom Count | | 19 | | Formal Charge | | 0 | | Complexity | | 426 | | 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 | | 2 | | Feature 3D Donor Count | | 2 | | Feature 3D Cation Count | | 1 | | Feature 3D Ring Count | | 1 | | Effective Rotor Count | | 4 | | Conformer Sampling RMSD | | 0.6 | | CID Conformer Count | | 32 |
| Descriptors | | | | IUPAC Name | | | | Canonical SMILES | | | | Isomeric SMILES | | |
Old Version Substance Information SID 605680, Version: 2, Same
SID 605680, Version: 3, Same
SID 605680, Version: 4, Same
SID 696273, Version: 2, Same
SID 696273, Version: 3, Same
SID 12014666, Version: 1, Same
SID 53790606, Version: 1, Same
SID 53790606, Version: 2, Same
SID 53790606, Version: 3, Same
SID 53790606, Version: 4, Same
SID 53790606, Version: 5, Same
SID 53790606, Version: 6, Same
SID 53790606, Version: 30, Same
SID 56212201, Version: 1, Same
SID 58684851, Version: 1, Mixture
SID 93311044, Version: 1, Same
SID 103252419, Version: 1, Same
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