[1-[(Z)-[(2,2-diphenoxyacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
Formula:C32H23N2O5Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-[(2,2-diphenoxyacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [1-[(Z)-[(2,2-diphenoxyacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate |
| MolecularFormula | C32H23N2O5Cl |
| Smiles | O=C(C(Oc1ccccc1)Oc1ccccc1)N/N=C\c(c1ccccc1cc1)c1OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C32H23ClN2O5/c33-24-18-15-23(16-19-24)31(37)40-29-20-17-22-9-7-8-14-27(22)28(29)21-34-35-30(36)32(38-25-10-3-1-4-11-25)39-26-12-5-2-6-13-26/h1-21,32H,(H,35,36) |
| InChIK | URXWNUHHWPBSCZ-UHFFFAOYSA-N |
| TotalMolweight | 550.997 |
| Molweight | 550.997 |
| MonoisotopicMass | 550.12955 |
| CLogP | 7.2451 |
| CLogS | -8.584 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 416.78 |
| Relative PSA | 0.18967 |
| PolarSurfaceArea | 86.22 |
| Druglikeness | 4.2953 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.475 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 10 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 4 |
| Symmetricatoms | 11 |
| StereoCon |
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1 - [1-[(Z)-[(2,2-diphenoxyacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate | 2 - [1-[(Z)-[(2,2-diphenoxyacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate
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