N-[(Z)-benzylideneamino]-4-bromo-1-[(4-chlorophenyl)methyl]pyrazole-3-carboxamide
Formula:C18H14N4OBrCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-benzylideneamino]-4-bromo-1-[(4-chlorophenyl)methyl]pyrazole-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-4-bromo-1-[(4-chlorophenyl)methyl]pyrazole-3-carboxamide |
| MolecularFormula | C18H14N4OBrCl |
| Smiles | O=C(c1nn(Cc(cc2)ccc2Cl)cc1Br)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C18H14BrClN4O/c19-16-12-24(11-14-6-8-15(20)9-7-14)23-17(16)18(25)22-21-10-13-4-2-1-3-5-13/h1-10,12H,11H2,(H,22,25) |
| InChIK | JYGBNJWAHHBBPH-UHFFFAOYSA-N |
| TotalMolweight | 417.693 |
| Molweight | 417.693 |
| MonoisotopicMass | 416.003949 |
| CLogP | 4.0066 |
| CLogS | -4.872 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 282.52 |
| Relative PSA | 0.19061 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 1.9104 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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