Compound Summary (CID 41736) |
| | |
  Compound Information CID 41736 Create Date: 2005-03-28 Suppressed Compound Properties and Descriptors | Properties | | | | Molecular Weight | | 523.41652 [g/mol] | | Molecular Formula | | C31H23BrO3 | | XLogP3-AA | | 7.8 | | H-Bond Donor | | 1 | | H-Bond Acceptor | | 3 | | Rotatable Bond Count | | 3 | | | | | Exact Mass | | 522.083057 | | MonoIsotopic Mass | | 522.083057 | | Topological Polar Surface Area | | 46.5 | | Heavy Atom Count | | 35 | | Formal Charge | | 0 | | Complexity | | 791 | | 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 | | 2 | | Feature 3D Donor Count | | 1 | | Feature 3D Hydrophobe Count | | 1 | | Feature 3D Ring Count | | 6 | | Effective Rotor Count | | 3.8 | | Conformer Sampling RMSD | | 0.8 | | CID Conformer Count | | 44 |
| Descriptors | | | | IUPAC Name | | | | Canonical SMILES | | | | Isomeric SMILES | | |
Old Version Substance Information SID 182418, Version: 1, Same
SID 182418, Version: 2, Same
SID 182418, Version: 3, Same
SID 318413, Version: 1, Same
SID 735071, Version: 1, Same
SID 735071, Version: 2, Same
SID 24869684, Version: 1, Same
SID 57175608, Version: 1, Same
SID 85683218, Version: 1, Same
|
