4-[5-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoate
Formula:C26H19N2O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
4-[5-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoate is a drug-like molecule.
| MolName | 4-[5-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoate |
| MolecularFormula | C26H19N2O5 |
| Smiles | [O-]C(c(cc1)ccc1-c1ccc(/C=N\NC(C(c2ccccc2)(c2ccccc2)O)=O)o1)=O |
| InChI | InChI=1S/C26H20N2O5/c29-24(30)19-13-11-18(12-14-19)23-16-15-22(33-23)17-27-28-25(31)26(32,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-17,32H,(H,28,31)(H,29,30)/p-1 |
| InChIK | WQVKGYZEUHJWFK-UHFFFAOYSA-M |
| TotalMolweight | 439.446 |
| Molweight | 439.446 |
| MonoisotopicMass | 439.129398 |
| CLogP | 1.8299 |
| CLogS | -5.9 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 338.24 |
| Relative PSA | 0.26768 |
| PolarSurfaceArea | 114.96 |
| Druglikeness | 7.4729 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 10 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[5-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoate | 2 - 4-[5-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]furan-2-yl]benzoate
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