Compound Summary (CID 53760791) |
| | |
  Compound Information CID 53760791 Create Date: 2011-12-04 Suppressed Compound Properties and Descriptors | Properties | | | | Molecular Weight | | 382.5142 [g/mol] | | Molecular Formula | | C20H30O5S | | XLogP3 | | 3.5 | | H-Bond Donor | | 1 | | H-Bond Acceptor | | 5 | | Rotatable Bond Count | | 2 | | | | | Exact Mass | | 382.181395 | | MonoIsotopic Mass | | 382.181395 | | Topological Polar Surface Area | | 89 | | Heavy Atom Count | | 26 | | Formal Charge | | 0 | | Complexity | | 751 | | Isotope Atom Count | | 0 | | Defined Atom Stereocenter Count | | 6 | | Undefined Atom Stereocenter Count | | 1 | | Defined Bond Stereocenter Count | | 0 | | Undefined Bond Stereocenter Count | | 0 | | Covalently-Bonded Unit Count | | 1 | | | | | Feature 3D Acceptor Count | | 4 | | Feature 3D Anion Count | | 1 | | Feature 3D Ring Count | | 4 | | Effective Rotor Count | | 3.8 | | Conformer Sampling RMSD | | 0.8 | | CID Conformer Count | | 3 |
| Descriptors | | | | IUPAC Name | | | | Canonical SMILES | | | | Isomeric SMILES | | |
Old Version Substance Information |
