(2R)-2-hydroxy-2-phenyl-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
Formula:C14H13N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2R)-2-hydroxy-2-phenyl-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | (2R)-2-hydroxy-2-phenyl-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide |
| MolecularFormula | C14H13N3O2 |
| Smiles | O[C@@H](C(N/N=C\c1ccncc1)=O)c1ccccc1 |
| InChI | InChI=1S/C14H13N3O2/c18-13(12-4-2-1-3-5-12)14(19)17-16-10-11-6-8-15-9-7-11/h1-10,13,18H,(H,17,19)/t13-/m1/s1 |
| InChIK | AJSAVEBOMOLRGP-CYBMUJFWSA-N |
| TotalMolweight | 255.276 |
| Molweight | 255.276 |
| MonoisotopicMass | 255.100777 |
| CLogP | 1.1287 |
| CLogS | -2.343 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 204.6 |
| Relative PSA | 0.29365 |
| PolarSurfaceArea | 74.58 |
| Druglikeness | 5.1443 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon | this enantiomer |
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