[1-[(Z)-[(2,2-diphenoxyacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
Formula:C32H22N2O5Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-[(2,2-diphenoxyacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate is not a drug-like molecule.
| MolName | [1-[(Z)-[(2,2-diphenoxyacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate |
| MolecularFormula | C32H22N2O5Cl2 |
| Smiles | O=C(C(Oc1ccccc1)Oc1ccccc1)N/N=C\c(c1ccccc1cc1)c1OC(c(ccc(Cl)c1)c1Cl)=O |
| InChI | InChI=1S/C32H22Cl2N2O5/c33-22-16-17-26(28(34)19-22)31(38)41-29-18-15-21-9-7-8-14-25(21)27(29)20-35-36-30(37)32(39-23-10-3-1-4-11-23)40-24-12-5-2-6-13-24/h1-20,32H,(H,36,37) |
| InChIK | QVQVOEVOVQROIL-UHFFFAOYSA-N |
| TotalMolweight | 585.442 |
| Molweight | 585.442 |
| MonoisotopicMass | 584.090577 |
| CLogP | 7.8511 |
| CLogS | -9.32 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 432.2 |
| Relative PSA | 0.1829 |
| PolarSurfaceArea | 86.22 |
| Druglikeness | 4.2953 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.46341 |
| Fragments | 1 |
| Non HAtoms | 41 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 10 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 4 |
| Symmetricatoms | 9 |
| StereoCon |
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1 - [1-[(Z)-[(2,2-diphenoxyacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate | 2 - [1-[(Z)-[(2,2-diphenoxyacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
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