(E)-N-(3-chlorophenyl)-2-cyano-3-pyridin-4-ylprop-2-enamide
Formula:C15H10N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(3-chlorophenyl)-2-cyano-3-pyridin-4-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(3-chlorophenyl)-2-cyano-3-pyridin-4-ylprop-2-enamide |
| MolecularFormula | C15H10N3OCl |
| Smiles | N#C/C(/C(Nc1cccc(Cl)c1)=O)=C\c1ccncc1 |
| InChI | InChI=1S/C15H10ClN3O/c16-13-2-1-3-14(9-13)19-15(20)12(10-17)8-11-4-6-18-7-5-11/h1-9H,(H,19,20) |
| InChIK | SMBPFFQBQZHTCT-UHFFFAOYSA-N |
| TotalMolweight | 283.717 |
| Molweight | 283.717 |
| MonoisotopicMass | 283.051239 |
| CLogP | 2.5934 |
| CLogS | -3.711 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 222.83 |
| Relative PSA | 0.22003 |
| PolarSurfaceArea | 65.78 |
| Druglikeness | -1.7015 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | twice activated DB |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| 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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