4-[(2Z)-2-[[3-[(Z)-[(4-sulfophenyl)hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]benzenesulfonic acid
Formula:C20H18N4O6S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-[[3-[(Z)-[(4-sulfophenyl)hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]benzenesulfonic acid is a drug-like molecule.
| MolName | 4-[(2Z)-2-[[3-[(Z)-[(4-sulfophenyl)hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]benzenesulfonic acid |
| MolecularFormula | C20H18N4O6S2 |
| Smiles | OS(c(cc1)ccc1N/N=C\c1cccc(/C=N\Nc(cc2)ccc2S(O)(=O)=O)c1)(=O)=O |
| InChI | InChI=1S/C20H18N4O6S2/c25-31(26,27)19-8-4-17(5-9-19)23-21-13-15-2-1-3-16(12-15)14-22-24-18-6-10-20(11-7-18)32(28,29)30/h1-14,23-24H,(H,25,26,27)(H,28,29,30) |
| InChIK | TVJLTRPGCGTRTQ-UHFFFAOYSA-N |
| TotalMolweight | 474.517 |
| Molweight | 474.517 |
| MonoisotopicMass | 474.066776 |
| CLogP | 3.5636 |
| CLogS | -1.894 |
| H Acceptors | 10 |
| H Donors | 4 |
| TotalSurfaceArea | 335.08 |
| Relative PSA | 0.38588 |
| PolarSurfaceArea | 174.28 |
| Druglikeness | 0.57045 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 18 |
| AcidicOxygens | 2 |
| StereoCon |
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