N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-phenyl-1H-pyrazole-5-carboxamide
Formula:C19H15N4OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-phenyl-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-phenyl-1H-pyrazole-5-carboxamide |
| MolecularFormula | C19H15N4OCl |
| Smiles | O=C(c1cc(-c2ccccc2)n[nH]1)N/N=C\C(\Cl)=C\c1ccccc1 |
| InChI | InChI=1S/C19H15ClN4O/c20-16(11-14-7-3-1-4-8-14)13-21-24-19(25)18-12-17(22-23-18)15-9-5-2-6-10-15/h1-13H,(H,22,23)(H,24,25) |
| InChIK | IEFOSZYHBDAZOC-UHFFFAOYSA-N |
| TotalMolweight | 350.808 |
| Molweight | 350.808 |
| MonoisotopicMass | 350.093438 |
| CLogP | 3.3793 |
| CLogS | -5.079 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 275.21 |
| Relative PSA | 0.22154 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 5.6343 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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