N-[(Z)-(4-bromophenyl)methylideneamino]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
Formula:C17H12N4OBrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide |
| MolecularFormula | C17H12N4OBrCl |
| Smiles | O=C(c1cc(-c(cc2)ccc2Cl)n[nH]1)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C17H12BrClN4O/c18-13-5-1-11(2-6-13)10-20-23-17(24)16-9-15(21-22-16)12-3-7-14(19)8-4-12/h1-10H,(H,21,22)(H,23,24) |
| InChIK | NHEIJNONKGGKBQ-UHFFFAOYSA-N |
| TotalMolweight | 403.666 |
| Molweight | 403.666 |
| MonoisotopicMass | 401.988299 |
| CLogP | 4.2306 |
| CLogS | -5.666 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 269.13 |
| Relative PSA | 0.22654 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 3.8654 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| 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 | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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