[1-[(Z)-[[2-(4-phenylphenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
Formula:C32H23N2O4Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-[[2-(4-phenylphenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [1-[(Z)-[[2-(4-phenylphenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate |
| MolecularFormula | C32H23N2O4Cl |
| Smiles | O=C(COc(cc1)ccc1-c1ccccc1)N/N=C\c(c1ccccc1cc1)c1OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C32H23ClN2O4/c33-26-15-10-25(11-16-26)32(37)39-30-19-14-24-8-4-5-9-28(24)29(30)20-34-35-31(36)21-38-27-17-12-23(13-18-27)22-6-2-1-3-7-22/h1-20H,21H2,(H,35,36) |
| InChIK | MIQDLOUZZDJYGO-UHFFFAOYSA-N |
| TotalMolweight | 534.998 |
| Molweight | 534.998 |
| MonoisotopicMass | 534.134635 |
| CLogP | 7.6666 |
| CLogS | -9.399 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 408.04 |
| Relative PSA | 0.16922 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 4.0206 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58974 |
| 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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1 - [1-[(Z)-[[2-(4-phenylphenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate | 2 - [1-[(Z)-[[2-(4-phenylphenoxy)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
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