(E)-N-(2-chloropyridin-3-yl)-3-(4-fluorophenyl)prop-2-enamide
Formula:C14H10N2OClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(2-chloropyridin-3-yl)-3-(4-fluorophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(2-chloropyridin-3-yl)-3-(4-fluorophenyl)prop-2-enamide |
| MolecularFormula | C14H10N2OClF |
| Smiles | O=C(/C=C/c(cc1)ccc1F)Nc1cccnc1Cl |
| InChI | InChI=1S/C14H10ClFN2O/c15-14-12(2-1-9-17-14)18-13(19)8-5-10-3-6-11(16)7-4-10/h1-9H,(H,18,19) |
| InChIK | BGANLLUUNXDZTN-UHFFFAOYSA-N |
| TotalMolweight | 276.697 |
| Molweight | 276.697 |
| MonoisotopicMass | 276.046568 |
| CLogP | 2.9396 |
| CLogS | -3.516 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 209.26 |
| Relative PSA | 0.1695 |
| PolarSurfaceArea | 41.99 |
| Druglikeness | -1.7029 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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