[1-[(Z)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
Formula:C32H22N2O4Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate is not a drug-like molecule.
| MolName | [1-[(Z)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate |
| MolecularFormula | C32H22N2O4Cl2 |
| Smiles | O=C(c(cc1)ccc1OCc(cc1)ccc1Cl)N/N=C\c(c1ccccc1cc1)c1OC(c(cccc1)c1Cl)=O |
| InChI | InChI=1S/C32H22Cl2N2O4/c33-24-14-9-21(10-15-24)20-39-25-16-11-23(12-17-25)31(37)36-35-19-28-26-6-2-1-5-22(26)13-18-30(28)40-32(38)27-7-3-4-8-29(27)34/h1-19H,20H2,(H,36,37) |
| InChIK | CZMRGFNHAUPMPB-UHFFFAOYSA-N |
| TotalMolweight | 569.443 |
| Molweight | 569.443 |
| MonoisotopicMass | 568.095662 |
| CLogP | 8.3866 |
| CLogS | -9.61 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 423.46 |
| Relative PSA | 0.16306 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 3.8381 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.575 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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-chlorobenzoate | 2 - [1-[(Z)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
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