Compound Summary (CID 54161136) |
| | |
  Compound Information CID 54161136 Create Date: 2011-12-04 Suppressed Compound Properties and Descriptors | Properties | | | | Molecular Weight | | 203.23558 [g/mol] | | Molecular Formula | | C9H17NO4 | | XLogP3-AA | | -1.5 | | H-Bond Donor | | 2 | | H-Bond Acceptor | | 5 | | Rotatable Bond Count | | 7 | | | | | Exact Mass | | 203.115758 | | MonoIsotopic Mass | | 203.115758 | | Topological Polar Surface Area | | 89.6 | | Heavy Atom Count | | 14 | | Formal Charge | | 0 | | Complexity | | 205 | | 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 | | 1 | | Feature 3D Anion Count | | 1 | | Feature 3D Cation Count | | 1 | | Feature 3D Hydrophobe Count | | 2 | | Effective Rotor Count | | 7 | | Conformer Sampling RMSD | | 0.8 | | CID Conformer Count | | 163 |
| Descriptors | | | | IUPAC Name | | | | Canonical SMILES | | | | Isomeric SMILES | | |
Old Version Substance Information |
