(E)-2-cyano-N-(2-fluoro-4-hydroxyphenyl)-3-pyridin-3-ylprop-2-enamide
Formula:C15H10N3O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-N-(2-fluoro-4-hydroxyphenyl)-3-pyridin-3-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-N-(2-fluoro-4-hydroxyphenyl)-3-pyridin-3-ylprop-2-enamide |
| MolecularFormula | C15H10N3O2F |
| Smiles | N#C/C(/C(Nc(ccc(O)c1)c1F)=O)=C\c1cnccc1 |
| InChI | InChI=1S/C15H10FN3O2/c16-13-7-12(20)3-4-14(13)19-15(21)11(8-17)6-10-2-1-5-18-9-10/h1-7,9,20H,(H,19,21) |
| InChIK | MTROKAYXBYUXTA-UHFFFAOYSA-N |
| TotalMolweight | 283.261 |
| Molweight | 283.261 |
| MonoisotopicMass | 283.075705 |
| CLogP | 1.7425 |
| CLogS | -2.993 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 220.11 |
| Relative PSA | 0.28227 |
| PolarSurfaceArea | 86.01 |
| Druglikeness | -3.0895 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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