[3-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
Formula:C27H19N3O5Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate is not a drug-like molecule.
| MolName | [3-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate |
| MolecularFormula | C27H19N3O5Cl2S |
| Smiles | O=C(c(cc1)ccc1NS(c1ccccc1)(=O)=O)N/N=C\c1cccc(OC(c(ccc(Cl)c2)c2Cl)=O)c1 |
| InChI | InChI=1S/C27H19Cl2N3O5S/c28-20-11-14-24(25(29)16-20)27(34)37-22-6-4-5-18(15-22)17-30-31-26(33)19-9-12-21(13-10-19)32-38(35,36)23-7-2-1-3-8-23/h1-17,32H,(H,31,33) |
| InChIK | KKQDBCXZBZRYRH-UHFFFAOYSA-N |
| TotalMolweight | 568.436 |
| Molweight | 568.436 |
| MonoisotopicMass | 567.042246 |
| CLogP | 6.1432 |
| CLogS | -7.996 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 405.14 |
| Relative PSA | 0.24458 |
| PolarSurfaceArea | 122.31 |
| Druglikeness | 0.3254 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| 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-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate | 2 - [3-[(Z)-[[4-(benzenesulfonamido)benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
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