N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1,5-diphenylpyrazole-3-carboxamide
Formula:C23H16N4OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1,5-diphenylpyrazole-3-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-1,5-diphenylpyrazole-3-carboxamide |
| MolecularFormula | C23H16N4OCl2 |
| Smiles | O=C(c(cc1-c2ccccc2)nn1-c1ccccc1)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C23H16Cl2N4O/c24-18-12-11-17(20(25)13-18)15-26-27-23(30)21-14-22(16-7-3-1-4-8-16)29(28-21)19-9-5-2-6-10-19/h1-15H,(H,27,30) |
| InChIK | FDTWYJKFMZTYQP-UHFFFAOYSA-N |
| TotalMolweight | 435.313 |
| Molweight | 435.313 |
| MonoisotopicMass | 434.070115 |
| CLogP | 5.3866 |
| CLogS | -6.73 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 325.31 |
| Relative PSA | 0.16553 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 7.04 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| 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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