[1-[(Z)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
Formula:C32H21N2O4Cl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate is not a drug-like molecule.
| MolName | [1-[(Z)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate |
| MolecularFormula | C32H21N2O4Cl3 |
| Smiles | O=C(c(cc1)ccc1OCc(cc1)ccc1Cl)N/N=C\c(c1ccccc1cc1)c1OC(c(ccc(Cl)c1)c1Cl)=O |
| InChI | InChI=1S/C32H21Cl3N2O4/c33-23-10-5-20(6-11-23)19-40-25-13-7-22(8-14-25)31(38)37-36-18-28-26-4-2-1-3-21(26)9-16-30(28)41-32(39)27-15-12-24(34)17-29(27)35/h1-18H,19H2,(H,37,38) |
| InChIK | YHKZPUPDACWZEG-UHFFFAOYSA-N |
| TotalMolweight | 603.888 |
| Molweight | 603.888 |
| MonoisotopicMass | 602.056689 |
| CLogP | 8.9926 |
| CLogS | -10.346 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 438.88 |
| Relative PSA | 0.15733 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 3.8381 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58537 |
| Fragments | 1 |
| Non HAtoms | 41 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [1-[(Z)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate | 2 - [1-[(Z)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
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