[3-(4-chlorobenzoyl)oxy-4-[(Z)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Formula:C27H17N2O6Cl3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-(4-chlorobenzoyl)oxy-4-[(Z)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [3-(4-chlorobenzoyl)oxy-4-[(Z)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C27H17N2O6Cl3S |
| Smiles | O=C(c(cc1)ccc1Cl)Oc1cc(OC(c(cc2)ccc2Cl)=O)c(/C=N\NS(c(cc2)ccc2Cl)(=O)=O)cc1 |
| InChI | InChI=1S/C27H17Cl3N2O6S/c28-20-6-1-17(2-7-20)26(33)37-23-12-5-19(16-31-32-39(35,36)24-13-10-22(30)11-14-24)25(15-23)38-27(34)18-3-8-21(29)9-4-18/h1-16,32H |
| InChIK | JUZGSINCIGURPI-UHFFFAOYSA-N |
| TotalMolweight | 603.865 |
| Molweight | 603.865 |
| MonoisotopicMass | 601.987289 |
| CLogP | 6.9561 |
| CLogS | -7.064 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 419.1 |
| Relative PSA | 0.23295 |
| PolarSurfaceArea | 119.51 |
| Druglikeness | 4.3596 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51282 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 7 |
| StereoCon |
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1 - [3-(4-chlorobenzoyl)oxy-4-[(Z)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate | 2 - [3-(4-chlorobenzoyl)oxy-4-[(Z)-[(4-chlorophenyl)sulfonylhydrazinylidene]methyl]phenyl] 4-chlorobenzoate
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