2-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-6-bromo-4-nitrophenolate
Formula:C13H9N3O5BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-6-bromo-4-nitrophenolate is a drug-like molecule.
| MolName | 2-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-6-bromo-4-nitrophenolate |
| MolecularFormula | C13H9N3O5BrS |
| Smiles | [O-]c(c(/C=N\NS(c1ccccc1)(=O)=O)cc([N+]([O-])=O)c1)c1Br |
| InChI | InChI=1S/C13H10BrN3O5S/c14-12-7-10(17(19)20)6-9(13(12)18)8-15-16-23(21,22)11-4-2-1-3-5-11/h1-8,16,18H/p-1 |
| InChIK | JUMAPUVXENXEPS-UHFFFAOYSA-M |
| TotalMolweight | 399.2 |
| Molweight | 399.2 |
| MonoisotopicMass | 397.944628 |
| CLogP | 0.157 |
| CLogS | -2.914 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 247.65 |
| Relative PSA | 0.38865 |
| PolarSurfaceArea | 135.79 |
| Druglikeness | -12.21 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| 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]-6-bromo-4-nitrophenolate | 2 - 2-[(Z)-(benzenesulfonylhydrazinylidene)methyl]-6-bromo-4-nitrophenolate
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