[3-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate
Formula:C25H16N2O3Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[3-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate is not a drug-like molecule.
| MolName | [3-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate |
| MolecularFormula | C25H16N2O3Cl2 |
| Smiles | O=C(c1cccc2ccccc12)N/N=C\c1cccc(OC(c(ccc(Cl)c2)c2Cl)=O)c1 |
| InChI | InChI=1S/C25H16Cl2N2O3/c26-18-11-12-22(23(27)14-18)25(31)32-19-8-3-5-16(13-19)15-28-29-24(30)21-10-4-7-17-6-1-2-9-20(17)21/h1-15H,(H,29,30) |
| InChIK | LEIAOVZPSBZYEZ-UHFFFAOYSA-N |
| TotalMolweight | 463.319 |
| Molweight | 463.319 |
| MonoisotopicMass | 462.053797 |
| CLogP | 7.0385 |
| CLogS | -8.269 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 339.94 |
| Relative PSA | 0.17371 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 4.0416 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| StereoCon |
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1 - [3-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate | 2 - [3-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate
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