[3-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Formula:C26H18N2O4Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate is not a drug-like molecule.
| MolName | [3-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate |
| MolecularFormula | C26H18N2O4Cl2 |
| Smiles | O=C(COc1cc2ccccc2cc1)N/N=C\c1cccc(OC(c(ccc(Cl)c2)c2Cl)=O)c1 |
| InChI | InChI=1S/C26H18Cl2N2O4/c27-20-9-11-23(24(28)14-20)26(32)34-22-7-3-4-17(12-22)15-29-30-25(31)16-33-21-10-8-18-5-1-2-6-19(18)13-21/h1-15H,16H2,(H,30,31) |
| InChIK | OTHOOXFEMIJIFI-UHFFFAOYSA-N |
| TotalMolweight | 493.345 |
| Molweight | 493.345 |
| MonoisotopicMass | 492.064362 |
| CLogP | 6.6134 |
| CLogS | -8.049 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 363.7 |
| Relative PSA | 0.18985 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 4.0206 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| StereoCon |
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1 - [3-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate | 2 - [3-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
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