4-chloro-N-[(Z)-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]methylideneamino]benzamide
Formula:C29H21N4OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-N-[(Z)-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-chloro-N-[(Z)-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]methylideneamino]benzamide |
| MolecularFormula | C29H21N4OCl |
| Smiles | O=C(c(cc1)ccc1Cl)N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C29H21ClN4O/c30-26-17-15-24(16-18-26)29(35)32-31-19-25-20-34(27-9-5-2-6-10-27)33-28(25)23-13-11-22(12-14-23)21-7-3-1-4-8-21/h1-20H,(H,32,35) |
| InChIK | KDEZHBNOOSLBPK-UHFFFAOYSA-N |
| TotalMolweight | 476.966 |
| Molweight | 476.966 |
| MonoisotopicMass | 476.140388 |
| CLogP | 6.3858 |
| CLogS | -8.056 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 369.65 |
| Relative PSA | 0.14568 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | 5.9239 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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