4-chloro-2-[(Z)-[[4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]-6-nitrophenolate
Formula:C20H12N4O6Cl3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-2-[(Z)-[[4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]-6-nitrophenolate is not a drug-like molecule.
| MolName | 4-chloro-2-[(Z)-[[4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]-6-nitrophenolate |
| MolecularFormula | C20H12N4O6Cl3S |
| Smiles | [O-]c(c([N+]([O-])=O)c1)c(/C=N\NC(c(cc2)cc(S(Nc(cc3)ccc3Cl)(=O)=O)c2Cl)=O)cc1Cl |
| InChI | InChI=1S/C20H13Cl3N4O6S/c21-13-2-4-15(5-3-13)26-34(32,33)18-8-11(1-6-16(18)23)20(29)25-24-10-12-7-14(22)9-17(19(12)28)27(30)31/h1-10,26,28H,(H,25,29)/p-1 |
| InChIK | MUBOMONVTQADJP-UHFFFAOYSA-M |
| TotalMolweight | 542.762 |
| Molweight | 542.762 |
| MonoisotopicMass | 540.954312 |
| CLogP | 2.4734 |
| CLogS | -7.426 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 364.25 |
| Relative PSA | 0.3315 |
| PolarSurfaceArea | 164.89 |
| Druglikeness | 1.1738 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 14 |
| Electronegative Atoms | 14 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-chloro-2-[(Z)-[[4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]-6-nitrophenolate | 2 - 4-chloro-2-[(Z)-[[4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoyl]hydrazinylidene]methyl]-6-nitrophenolate
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