[4-[(Z)-(naphthalene-2-carbonylhydrazinylidene)methyl]phenyl] 3,4-dichlorobenzoate
Formula:C25H16N2O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-(naphthalene-2-carbonylhydrazinylidene)methyl]phenyl] 3,4-dichlorobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-(naphthalene-2-carbonylhydrazinylidene)methyl]phenyl] 3,4-dichlorobenzoate |
| MolecularFormula | C25H16N2O3Cl2 |
| Smiles | O=C(c1cc2ccccc2cc1)N/N=C\c(cc1)ccc1OC(c(cc1)cc(Cl)c1Cl)=O |
| InChI | InChI=1S/C25H16Cl2N2O3/c26-22-12-9-20(14-23(22)27)25(31)32-21-10-5-16(6-11-21)15-28-29-24(30)19-8-7-17-3-1-2-4-18(17)13-19/h1-15H,(H,29,30) |
| InChIK | MUVIACDXXFLGDB-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 | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65625 |
| 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 |
| Symmetricatoms | 2 |
| StereoCon |
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