(E)-N-(4-chlorophenyl)-2-cyano-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-enamide
Formula:C19H13N4OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(4-chlorophenyl)-2-cyano-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(4-chlorophenyl)-2-cyano-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-enamide |
| MolecularFormula | C19H13N4OCl |
| Smiles | N#C/C(/C(Nc(cc1)ccc1Cl)=O)=C\c1c(-c2ccccc2)[nH]nc1 |
| InChI | InChI=1S/C19H13ClN4O/c20-16-6-8-17(9-7-16)23-19(25)14(11-21)10-15-12-22-24-18(15)13-4-2-1-3-5-13/h1-10,12H,(H,22,24)(H,23,25) |
| InChIK | LCWPQSNKMVTOFY-UHFFFAOYSA-N |
| TotalMolweight | 348.792 |
| Molweight | 348.792 |
| MonoisotopicMass | 348.077788 |
| CLogP | 3.2381 |
| CLogS | -4.857 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 272.16 |
| Relative PSA | 0.23155 |
| PolarSurfaceArea | 81.57 |
| Druglikeness | 0.56042 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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