N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
Formula:C23H16N4OClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(4-phenylphenyl)-1H-pyrazole-5-carboxamide |
| MolecularFormula | C23H16N4OClF |
| Smiles | O=C(c1cc(-c(cc2)ccc2-c2ccccc2)n[nH]1)N/N=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C23H16ClFN4O/c24-19-7-4-8-20(25)18(19)14-26-29-23(30)22-13-21(27-28-22)17-11-9-16(10-12-17)15-5-2-1-3-6-15/h1-14H,(H,27,28)(H,29,30) |
| InChIK | FMGTWZIMOVBRDA-UHFFFAOYSA-N |
| TotalMolweight | 418.858 |
| Molweight | 418.858 |
| MonoisotopicMass | 418.099666 |
| CLogP | 5.2654 |
| CLogS | -7.232 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 316.61 |
| Relative PSA | 0.19257 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 4.3154 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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