4-[(Z)-[(4-bromophenyl)sulfonylhydrazinylidene]methyl]benzoic acid
Formula:C14H11N2O4BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[(4-bromophenyl)sulfonylhydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(Z)-[(4-bromophenyl)sulfonylhydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C14H11N2O4BrS |
| Smiles | OC(c1ccc(/C=N\NS(c(cc2)ccc2Br)(=O)=O)cc1)=O |
| InChI | InChI=1S/C14H11BrN2O4S/c15-12-5-7-13(8-6-12)22(20,21)17-16-9-10-1-3-11(4-2-10)14(18)19/h1-9,17H,(H,18,19) |
| InChIK | MWWADYPVQRXZMD-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 | -4.1878 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| 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 | 5 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(Z)-[(4-bromophenyl)sulfonylhydrazinylidene]methyl]benzoic acid | 2 - 4-[(Z)-[(4-bromophenyl)sulfonylhydrazinylidene]methyl]benzoic acid
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