2-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-4,6-dinitrophenolate
Formula:C13H9N4O7S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-4,6-dinitrophenolate is not a drug-like molecule.
| MolName | 2-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-4,6-dinitrophenolate |
| MolecularFormula | C13H9N4O7S |
| Smiles | [O-]c(c([N+]([O-])=O)c1)c(/C=N\NS(c2ccccc2)(=O)=O)cc1[N+]([O-])=O |
| InChI | InChI=1S/C13H10N4O7S/c18-13-9(6-10(16(19)20)7-12(13)17(21)22)8-14-15-25(23,24)11-4-2-1-3-5-11/h1-8,15,18H/p-1 |
| InChIK | LOXOHLVVQORSOQ-UHFFFAOYSA-M |
| TotalMolweight | 365.301 |
| Molweight | 365.301 |
| MonoisotopicMass | 365.019196 |
| CLogP | -1.4898 |
| CLogS | -2.54 |
| H Acceptors | 11 |
| H Donors | 1 |
| TotalSurfaceArea | 252.69 |
| Relative PSA | 0.50129 |
| PolarSurfaceArea | 181.61 |
| Druglikeness | -10.54 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-4,6-dinitrophenolate | 2 - 2-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-4,6-dinitrophenolate
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