5-[(Z)-[[2-(4-phenylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonic acid
Formula:C19H16N2O6S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
5-[(Z)-[[2-(4-phenylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonic acid is a drug-like molecule.
| MolName | 5-[(Z)-[[2-(4-phenylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonic acid |
| MolecularFormula | C19H16N2O6S |
| Smiles | OS(c1ccc(/C=N\NC(COc(cc2)ccc2-c2ccccc2)=O)o1)(=O)=O |
| InChI | InChI=1S/C19H16N2O6S/c22-18(21-20-12-17-10-11-19(27-17)28(23,24)25)13-26-16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-12H,13H2,(H,21,22)(H,23,24,25) |
| InChIK | HACCANHYGFTDAH-UHFFFAOYSA-N |
| TotalMolweight | 400.41 |
| Molweight | 400.41 |
| MonoisotopicMass | 400.072908 |
| CLogP | 1.4925 |
| CLogS | -3.638 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 295.13 |
| Relative PSA | 0.34493 |
| PolarSurfaceArea | 126.58 |
| Druglikeness | 6.0004 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
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