N-[(Z)-(2-chlorophenyl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide
Formula:C23H17N4OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chlorophenyl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chlorophenyl)methylideneamino]-1,3-diphenylpyrazole-4-carboxamide |
| MolecularFormula | C23H17N4OCl |
| Smiles | O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N/N=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C23H17ClN4O/c24-21-14-8-7-11-18(21)15-25-26-23(29)20-16-28(19-12-5-2-6-13-19)27-22(20)17-9-3-1-4-10-17/h1-16H,(H,26,29) |
| InChIK | RZIQIFQADZQHTI-UHFFFAOYSA-N |
| TotalMolweight | 400.868 |
| Molweight | 400.868 |
| MonoisotopicMass | 400.109088 |
| CLogP | 4.7266 |
| CLogS | -5.97 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 309.89 |
| Relative PSA | 0.17377 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 6.503 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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