Compound Summary (CID 758850) |
| | |
  Compound Information CID 758850 Create Date: 2005-07-08 Suppressed Compound Properties and Descriptors | Properties | | | | Molecular Weight | | 323.34588 [g/mol] | | Molecular Formula | | C18H17N3O3 | | XLogP3-AA | | 3 | | H-Bond Donor | | 2 | | H-Bond Acceptor | | 5 | | Rotatable Bond Count | | 4 | | | | | Exact Mass | | 323.126991 | | MonoIsotopic Mass | | 323.126991 | | Topological Polar Surface Area | | 82.5 | | Heavy Atom Count | | 24 | | Formal Charge | | 0 | | Complexity | | 532 | | Isotope Atom Count | | 0 | | 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 Acceptor Count | | 3 | | Feature 3D Donor Count | | 2 | | Feature 3D Anion Count | | 1 | | Feature 3D Cation Count | | 1 | | Feature 3D Ring Count | | 3 | | Effective Rotor Count | | 5 | | Conformer Sampling RMSD | | 0.8 | | CID Conformer Count | | 54 |
| Descriptors | | | | IUPAC Name | | | | Canonical SMILES | | | | Isomeric SMILES | | |
Old Version Substance Information SID 981984, Version: 1, Same
SID 981984, Version: 2, Same
SID 3311494, Version: 1, Same
SID 3311494, Version: 2, Same
SID 3946578, Version: 1, Same
SID 7972425, Version: 1, Same
SID 7972425, Version: 2, Same
SID 25667931, Version: 1, Same
SID 25667931, Version: 3, Same
SID 25667931, Version: 4, Same
SID 27482945, Version: 1, Same
SID 27482945, Version: 3, Same
SID 50962232, Version: 1, Same
SID 57740819, Version: 1, Same
SID 57740819, Version: 2, Same
SID 71958469, Version: 1, Mixture
SID 88774483, Version: 1, Same
|
