4-bromo-1-[(4-chlorophenyl)methyl]-N-[(Z)-naphthalen-1-ylmethylideneamino]pyrazole-3-carboxamide
Formula:C22H16N4OBrCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
4-bromo-1-[(4-chlorophenyl)methyl]-N-[(Z)-naphthalen-1-ylmethylideneamino]pyrazole-3-carboxamide is not a drug-like molecule.
| MolName | 4-bromo-1-[(4-chlorophenyl)methyl]-N-[(Z)-naphthalen-1-ylmethylideneamino]pyrazole-3-carboxamide |
| MolecularFormula | C22H16N4OBrCl |
| Smiles | O=C(c1nn(Cc(cc2)ccc2Cl)cc1Br)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C22H16BrClN4O/c23-20-14-28(13-15-8-10-18(24)11-9-15)27-21(20)22(29)26-25-12-17-6-3-5-16-4-1-2-7-19(16)17/h1-12,14H,13H2,(H,26,29) |
| InChIK | UNQBSEGBHXQMSA-UHFFFAOYSA-N |
| TotalMolweight | 467.753 |
| Molweight | 467.753 |
| MonoisotopicMass | 466.019599 |
| CLogP | 5.201 |
| CLogS | -6.478 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 317.12 |
| Relative PSA | 0.16981 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 1.9104 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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