Compound Summary (CID 34322) |
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  Compound Information CID 34322 Create Date: 2005-03-28 Suppressed Compound Properties and Descriptors | Properties | | | | Molecular Weight | | 527.40522 [g/mol] | | Molecular Formula | | C30H23BrO4 | | XLogP3 | | 6.1 | | H-Bond Donor | | 2 | | H-Bond Acceptor | | 4 | | Rotatable Bond Count | | 6 | | | | | Exact Mass | | 526.077971 | | MonoIsotopic Mass | | 526.077971 | | Topological Polar Surface Area | | 66.8 | | Heavy Atom Count | | 35 | | Formal Charge | | 0 | | Complexity | | 744 | | Isotope Atom Count | | 0 | | Defined Atom Stereocenter Count | | 0 | | Undefined Atom Stereocenter Count | | 2 | | Defined Bond Stereocenter Count | | 0 | | Undefined Bond Stereocenter Count | | 0 | | Covalently-Bonded Unit Count | | 1 | | | | | Feature 3D Acceptor Count | | 3 | | Feature 3D Donor Count | | 2 | | Feature 3D Hydrophobe Count | | 1 | | Feature 3D Ring Count | | 5 | | Effective Rotor Count | | 6 | | Conformer Sampling RMSD | | 0.8 | | CID Conformer Count | | 35 |
| Descriptors | | | | IUPAC Name | | | | Canonical SMILES | | | | Isomeric SMILES | | |
Old Version Substance Information SID 176067, Version: 1, Same
SID 176067, Version: 2, Same
SID 176067, Version: 3, Same
SID 376761, Version: 1, Same
SID 24869683, Version: 1, Same
SID 26757356, Version: 1, Same
SID 26757356, Version: 2, Same
SID 99366762, Version: 1, Same
SID 99437691, Version: 1, Same
SID 99437691, Version: 2, Same
SID 99437691, Version: 3, Same
SID 99437691, Version: 4, Same
SID 103764855, Version: 1, Same
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