[3-[(Z)-[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Formula:C27H18N3O5Cl3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate is not a drug-like molecule.
| MolName | [3-[(Z)-[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate |
| MolecularFormula | C27H18N3O5Cl3S |
| Smiles | O=C(c(cc1)ccc1NS(c(cc1)ccc1Cl)(=O)=O)N/N=C\c1cccc(OC(c(ccc(Cl)c2)c2Cl)=O)c1 |
| InChI | InChI=1S/C27H18Cl3N3O5S/c28-19-6-11-23(12-7-19)39(36,37)33-21-9-4-18(5-10-21)26(34)32-31-16-17-2-1-3-22(14-17)38-27(35)24-13-8-20(29)15-25(24)30/h1-16,33H,(H,32,34) |
| InChIK | IJDANLWOCOBROK-UHFFFAOYSA-N |
| TotalMolweight | 602.881 |
| Molweight | 602.881 |
| MonoisotopicMass | 601.003273 |
| CLogP | 6.7492 |
| CLogS | -8.732 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 420.56 |
| Relative PSA | 0.23561 |
| PolarSurfaceArea | 122.31 |
| Druglikeness | 8.2939 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64103 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - [3-[(Z)-[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate | 2 - [3-[(Z)-[[4-[(4-chlorophenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
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