N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
Formula:C19H14N4OBrCl
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide |
| MolecularFormula | C19H14N4OBrCl |
| Smiles | O=C(c1cc(-c(cccc2)c2Cl)n[nH]1)N/N=C\C(\Br)=C\c1ccccc1 |
| InChI | InChI=1S/C19H14BrClN4O/c20-14(10-13-6-2-1-3-7-13)12-22-25-19(26)18-11-17(23-24-18)15-8-4-5-9-16(15)21/h1-12H,(H,23,24)(H,25,26) |
| InChIK | OUBXAFXSSQQYJV-UHFFFAOYSA-N |
| TotalMolweight | 429.704 |
| Molweight | 429.704 |
| MonoisotopicMass | 428.003949 |
| CLogP | 4.1163 |
| CLogS | -5.957 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 293.84 |
| Relative PSA | 0.20749 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | 0.28536 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide | 2 - N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
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