[1-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
Formula:C30H20N2O4Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate is not a drug-like molecule.
| MolName | [1-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate |
| MolecularFormula | C30H20N2O4Cl2 |
| Smiles | O=C(COc1cc2ccccc2cc1)N/N=C\c(c1ccccc1cc1)c1OC(c(ccc(Cl)c1)c1Cl)=O |
| InChI | InChI=1S/C30H20Cl2N2O4/c31-22-11-13-25(27(32)16-22)30(36)38-28-14-10-20-6-3-4-8-24(20)26(28)17-33-34-29(35)18-37-23-12-9-19-5-1-2-7-21(19)15-23/h1-17H,18H2,(H,34,35) |
| InChIK | AXAZFZSKCCBHCJ-UHFFFAOYSA-N |
| TotalMolweight | 543.405 |
| Molweight | 543.405 |
| MonoisotopicMass | 542.080012 |
| CLogP | 7.8078 |
| CLogS | -9.655 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 398.3 |
| Relative PSA | 0.17336 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 4.0206 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55263 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 3 |
| StereoCon |
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1 - [1-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate | 2 - [1-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 2,4-dichlorobenzoate
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