(E)-1-phenyl-3-(pyridin-4-ylamino)prop-2-en-1-one
Formula:C14H12N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-phenyl-3-(pyridin-4-ylamino)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-phenyl-3-(pyridin-4-ylamino)prop-2-en-1-one |
| MolecularFormula | C14H12N2O |
| Smiles | O=C(/C=C/Nc1ccncc1)c1ccccc1 |
| InChI | InChI=1S/C14H12N2O/c17-14(12-4-2-1-3-5-12)8-11-16-13-6-9-15-10-7-13/h1-11H,(H,15,16) |
| InChIK | ZHGIRTODNMEIKB-UHFFFAOYSA-N |
| TotalMolweight | 224.262 |
| Molweight | 224.262 |
| MonoisotopicMass | 224.094963 |
| CLogP | 1.4736 |
| CLogS | -2.991 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 187.49 |
| Relative PSA | 0.18918 |
| PolarSurfaceArea | 41.99 |
| Druglikeness | 0.58525 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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