2-[(Z)-(benzenesulfonylhydrazinylidene)methyl]benzoic acid
Formula:C14H12N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-(benzenesulfonylhydrazinylidene)methyl]benzoic acid is a drug-like molecule.
| MolName | 2-[(Z)-(benzenesulfonylhydrazinylidene)methyl]benzoic acid |
| MolecularFormula | C14H12N2O4S |
| Smiles | OC(c1c(/C=N\NS(c2ccccc2)(=O)=O)cccc1)=O |
| InChI | InChI=1S/C14H12N2O4S/c17-14(18)13-9-5-4-6-11(13)10-15-16-21(19,20)12-7-2-1-3-8-12/h1-10,16H,(H,17,18) |
| InChIK | APKRKKKZAMSNQA-UHFFFAOYSA-N |
| TotalMolweight | 304.325 |
| Molweight | 304.325 |
| MonoisotopicMass | 304.051778 |
| CLogP | 1.7622 |
| CLogS | -1.929 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 221.92 |
| Relative PSA | 0.35008 |
| PolarSurfaceArea | 104.21 |
| Druglikeness | -7.8494 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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)-(benzenesulfonylhydrazinylidene)methyl]benzoic acid | 2 - 2-[(Z)-(benzenesulfonylhydrazinylidene)methyl]benzoic acid
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