[2-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzenesulfonate
Formula:C20H13N3O6Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzenesulfonate is a drug-like molecule.
| MolName | [2-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzenesulfonate |
| MolecularFormula | C20H13N3O6Cl2S |
| Smiles | [O-][N+](c(cc1)ccc1S(Oc1c(/C=N\NC(c(ccc(Cl)c2)c2Cl)=O)cccc1)(=O)=O)=O |
| InChI | InChI=1S/C20H13Cl2N3O6S/c21-14-5-10-17(18(22)11-14)20(26)24-23-12-13-3-1-2-4-19(13)31-32(29,30)16-8-6-15(7-9-16)25(27)28/h1-12H,(H,24,26) |
| InChIK | ZYCMSWKTGCJJLV-UHFFFAOYSA-N |
| TotalMolweight | 494.31 |
| Molweight | 494.31 |
| MonoisotopicMass | 492.990211 |
| CLogP | 4.3709 |
| CLogS | -6.427 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 339.84 |
| Relative PSA | 0.309 |
| PolarSurfaceArea | 139.03 |
| Druglikeness | -3.9628 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - [2-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzenesulfonate | 2 - [2-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzenesulfonate
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