[4-[(Z)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
Formula:C32H23N2O4Cl
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
[4-[(Z)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate is not a drug-like molecule.
| MolName | [4-[(Z)-[[4-[(4-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate |
| MolecularFormula | C32H23N2O4Cl |
| Smiles | O=C(c(cc1)ccc1OCc(cc1)ccc1Cl)N/N=C\c(cc1)ccc1OC(c1cccc2ccccc12)=O |
| InChI | InChI=1S/C32H23ClN2O4/c33-26-14-8-23(9-15-26)21-38-27-18-12-25(13-19-27)31(36)35-34-20-22-10-16-28(17-11-22)39-32(37)30-7-3-5-24-4-1-2-6-29(24)30/h1-20H,21H2,(H,35,36) |
| InChIK | OGVPJLLYYAODKB-UHFFFAOYSA-N |
| TotalMolweight | 534.998 |
| Molweight | 534.998 |
| MonoisotopicMass | 534.134635 |
| CLogP | 7.7806 |
| CLogS | -8.874 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 408.04 |
| Relative PSA | 0.16922 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 3.8381 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon |
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