5-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-sulfonate
Formula:C19H15N2O6S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
5-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-sulfonate is a drug-like molecule.
| MolName | 5-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-sulfonate |
| MolecularFormula | C19H15N2O6S |
| Smiles | [O-]S(c1ccc(/C=N\NC(C(c2ccccc2)(c2ccccc2)O)=O)o1)(=O)=O |
| InChI | InChI=1S/C19H16N2O6S/c22-18(21-20-13-16-11-12-17(27-16)28(24,25)26)19(23,14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,23H,(H,21,22)(H,24,25,26)/p-1 |
| InChIK | QOXXYKBFCSCITI-UHFFFAOYSA-M |
| TotalMolweight | 399.402 |
| Molweight | 399.402 |
| MonoisotopicMass | 399.065083 |
| CLogP | -0.7089 |
| CLogS | -2.478 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 289.31 |
| Relative PSA | 0.36667 |
| PolarSurfaceArea | 140.41 |
| Druglikeness | 4.7724 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 9 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 5-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-sulfonate | 2 - 5-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-sulfonate
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