4-[(Z)-[(4-chlorophenyl)hydrazinylidene]methyl]-N,N-diphenylaniline
Formula:C25H20N3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
4-[(Z)-[(4-chlorophenyl)hydrazinylidene]methyl]-N,N-diphenylaniline is not a drug-like molecule.
| MolName | 4-[(Z)-[(4-chlorophenyl)hydrazinylidene]methyl]-N,N-diphenylaniline |
| MolecularFormula | C25H20N3Cl |
| Smiles | Clc(cc1)ccc1N/N=C\c(cc1)ccc1N(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C25H20ClN3/c26-21-13-15-22(16-14-21)28-27-19-20-11-17-25(18-12-20)29(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-19,28H |
| InChIK | FNUXHXVLMWNFDF-UHFFFAOYSA-N |
| TotalMolweight | 397.908 |
| Molweight | 397.908 |
| MonoisotopicMass | 397.134574 |
| CLogP | 8.0413 |
| CLogS | -8.061 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 314.48 |
| Relative PSA | 0.08433 |
| PolarSurfaceArea | 27.63 |
| Druglikeness | 3.1495 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 12 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 4-[(Z)-[(4-chlorophenyl)hydrazinylidene]methyl]-N,N-diphenylaniline | 2 - 4-[(Z)-[(4-chlorophenyl)hydrazinylidene]methyl]-N,N-diphenylaniline
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