Compound Summary (CID 54417146) |
| | |
  Compound Information CID 54417146 Create Date: 2011-12-04 Suppressed Compound Properties and Descriptors | Properties | | | | Molecular Weight | | 155.186549 [g/mol] | | Molecular Formula | | C8H11NO2 | | XLogP3 | | -1 | | H-Bond Donor | | 3 | | H-Bond Acceptor | | 3 | | Rotatable Bond Count | | 3 | | | | | Exact Mass | | 155.087203 | | MonoIsotopic Mass | | 155.087203 | | Topological Polar Surface Area | | 66.5 | | Heavy Atom Count | | 11 | | Formal Charge | | 0 | | Complexity | | 119 | | Isotope Atom Count | | 1 | | Defined Atom Stereocenter Count | | 0 | | Undefined Atom Stereocenter Count | | 0 | | Defined Bond Stereocenter Count | | 0 | | Undefined Bond Stereocenter Count | | 0 | | Covalently-Bonded Unit Count | | 1 | | | | | Feature 3D Donor Count | | 3 | | Feature 3D Cation Count | | 1 | | Feature 3D Ring Count | | 1 | | Effective Rotor Count | | 2 | | Conformer Sampling RMSD | | 0.4 | | CID Conformer Count | | 10 |
| Descriptors | | | | IUPAC Name | | | | Canonical SMILES | | | | Isomeric SMILES | | |
Old Version Substance Information |
