[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-nitrobenzenesulfonate
Formula:C19H15N3O7S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-nitrobenzenesulfonate is a drug-like molecule.
| MolName | [4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-nitrobenzenesulfonate |
| MolecularFormula | C19H15N3O7S2 |
| Smiles | [O-][N+](c(cc1)ccc1S(Oc1ccc(/C=N\NS(c2ccccc2)(=O)=O)cc1)(=O)=O)=O |
| InChI | InChI=1S/C19H15N3O7S2/c23-22(24)16-8-12-19(13-9-16)31(27,28)29-17-10-6-15(7-11-17)14-20-21-30(25,26)18-4-2-1-3-5-18/h1-14,21H |
| InChIK | RUWMOLBDEPOWPW-UHFFFAOYSA-N |
| TotalMolweight | 461.474 |
| Molweight | 461.474 |
| MonoisotopicMass | 461.035142 |
| CLogP | 2.2344 |
| CLogS | -3.15 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 319.83 |
| Relative PSA | 0.37692 |
| PolarSurfaceArea | 164.48 |
| Druglikeness | -14.053 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 8 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - [4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-nitrobenzenesulfonate | 2 - [4-[(Z)-(benzenesulfonylhydrazinylidene)methyl]phenyl] 4-nitrobenzenesulfonate
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