2-[(Z)-[(4-bromophenyl)sulfonylhydrazinylidene]methyl]benzoic acid
Formula:C14H11N2O4BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[(4-bromophenyl)sulfonylhydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 2-[(Z)-[(4-bromophenyl)sulfonylhydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C14H11N2O4BrS |
| Smiles | OC(c1c(/C=N\NS(c(cc2)ccc2Br)(=O)=O)cccc1)=O |
| InChI | InChI=1S/C14H11BrN2O4S/c15-11-5-7-12(8-6-11)22(20,21)17-16-9-10-3-1-2-4-13(10)14(18)19/h1-9,17H,(H,18,19) |
| InChIK | GXCUIVUKSCGRJO-UHFFFAOYSA-N |
| TotalMolweight | 383.221 |
| Molweight | 383.221 |
| MonoisotopicMass | 381.962289 |
| CLogP | 2.4874 |
| CLogS | -2.763 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 240.55 |
| Relative PSA | 0.32297 |
| PolarSurfaceArea | 104.21 |
| Druglikeness | -2.068 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-[(4-bromophenyl)sulfonylhydrazinylidene]methyl]benzoic acid | 2 - 2-[(Z)-[(4-bromophenyl)sulfonylhydrazinylidene]methyl]benzoic acid
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