(Z)-4-hydroxy-2-oxo-4-phenyl-N-pyridin-2-ylbut-3-enamide
Formula:C15H12N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-4-hydroxy-2-oxo-4-phenyl-N-pyridin-2-ylbut-3-enamide is a drug-like molecule.
| MolName | (Z)-4-hydroxy-2-oxo-4-phenyl-N-pyridin-2-ylbut-3-enamide |
| MolecularFormula | C15H12N2O3 |
| Smiles | O/C(/c1ccccc1)=C\C(C(Nc1ncccc1)=O)=O |
| InChI | InChI=1S/C15H12N2O3/c18-12(11-6-2-1-3-7-11)10-13(19)15(20)17-14-8-4-5-9-16-14/h1-10,18H,(H,16,17,20) |
| InChIK | PMMTVPZUVBJVFO-UHFFFAOYSA-N |
| TotalMolweight | 268.271 |
| Molweight | 268.271 |
| MonoisotopicMass | 268.084793 |
| CLogP | 1.1831 |
| CLogS | -2.683 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 209.8 |
| Relative PSA | 0.29366 |
| PolarSurfaceArea | 79.29 |
| Druglikeness | -0.4753 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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