2-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-4-nitrophenolate
Formula:C13H10N3O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-4-nitrophenolate is a drug-like molecule.
| MolName | 2-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-4-nitrophenolate |
| MolecularFormula | C13H10N3O5S |
| Smiles | [O-]c(cc1)c(/C=N\NS(c2ccccc2)(=O)=O)cc1[N+]([O-])=O |
| InChI | InChI=1S/C13H11N3O5S/c17-13-7-6-11(16(18)19)8-10(13)9-14-15-22(20,21)12-4-2-1-3-5-12/h1-9,15,17H/p-1 |
| InChIK | GAVLWAVBXANOLX-UHFFFAOYSA-M |
| TotalMolweight | 320.304 |
| Molweight | 320.304 |
| MonoisotopicMass | 320.034117 |
| CLogP | -0.5682 |
| CLogS | -2.08 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 229.02 |
| Relative PSA | 0.42027 |
| PolarSurfaceArea | 135.79 |
| Druglikeness | -11.756 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-4-nitrophenolate | 2 - 2-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-4-nitrophenolate
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