4-[(2Z)-2-[(2-fluorophenyl)methylidene]hydrazinyl]benzenesulfonic acid
Formula:C13H11N2O3FS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-[(2-fluorophenyl)methylidene]hydrazinyl]benzenesulfonic acid is a drug-like molecule.
| MolName | 4-[(2Z)-2-[(2-fluorophenyl)methylidene]hydrazinyl]benzenesulfonic acid |
| MolecularFormula | C13H11N2O3FS |
| Smiles | OS(c(cc1)ccc1N/N=C\c(cccc1)c1F)(=O)=O |
| InChI | InChI=1S/C13H11FN2O3S/c14-13-4-2-1-3-10(13)9-15-16-11-5-7-12(8-6-11)20(17,18)19/h1-9,16H,(H,17,18,19) |
| InChIK | QFDQWYOIBFJOFS-UHFFFAOYSA-N |
| TotalMolweight | 294.305 |
| Molweight | 294.305 |
| MonoisotopicMass | 294.047441 |
| CLogP | 2.7124 |
| CLogS | -2.069 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 210.52 |
| Relative PSA | 0.3071 |
| PolarSurfaceArea | 87.14 |
| Druglikeness | -0.49748 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| 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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