N-[(Z)-benzylideneamino]-3-(2,5-dichlorophenyl)-1H-pyrazole-5-carboxamide
Formula:C17H12N4OCl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-benzylideneamino]-3-(2,5-dichlorophenyl)-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-3-(2,5-dichlorophenyl)-1H-pyrazole-5-carboxamide |
| MolecularFormula | C17H12N4OCl2 |
| Smiles | O=C(c1cc(-c(cc(cc2)Cl)c2Cl)n[nH]1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C17H12Cl2N4O/c18-12-6-7-14(19)13(8-12)15-9-16(22-21-15)17(24)23-20-10-11-4-2-1-3-5-11/h1-10H,(H,21,22)(H,23,24) |
| InChIK | KKWHDOYWCRNSOS-UHFFFAOYSA-N |
| TotalMolweight | 359.215 |
| Molweight | 359.215 |
| MonoisotopicMass | 358.038815 |
| CLogP | 4.1114 |
| CLogS | -5.568 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 265.92 |
| Relative PSA | 0.22928 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 5.6554 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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