[3-[(Z)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Formula:C21H12N2O3Cl4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate is not a drug-like molecule.
| MolName | [3-[(Z)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate |
| MolecularFormula | C21H12N2O3Cl4 |
| Smiles | O=C(c(cc1)cc(Cl)c1Cl)N/N=C\c1cc(OC(c(ccc(Cl)c2)c2Cl)=O)ccc1 |
| InChI | InChI=1S/C21H12Cl4N2O3/c22-14-5-6-16(18(24)10-14)21(29)30-15-3-1-2-12(8-15)11-26-27-20(28)13-4-7-17(23)19(25)9-13/h1-11H,(H,27,28) |
| InChIK | TYNCMOLSZSVBQY-UHFFFAOYSA-N |
| TotalMolweight | 482.149 |
| Molweight | 482.149 |
| MonoisotopicMass | 479.960201 |
| CLogP | 7.0561 |
| CLogS | -8.135 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 336.18 |
| Relative PSA | 0.17565 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 4.0416 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| StereoCon |
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1 - [3-[(Z)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate | 2 - [3-[(Z)-[(3,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
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