3-[[4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]phenoxy]methyl]benzoate
Formula:C24H17N2O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[[4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]phenoxy]methyl]benzoate is a drug-like molecule.
| MolName | 3-[[4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]phenoxy]methyl]benzoate |
| MolecularFormula | C24H17N2O5 |
| Smiles | [O-]C(c1cc(COc2ccc(/C=N\NC(c3cc(cccc4)c4o3)=O)cc2)ccc1)=O |
| InChI | InChI=1S/C24H18N2O5/c27-23(22-13-18-5-1-2-7-21(18)31-22)26-25-14-16-8-10-20(11-9-16)30-15-17-4-3-6-19(12-17)24(28)29/h1-14H,15H2,(H,26,27)(H,28,29)/p-1 |
| InChIK | BCNXYYVLKCOPNB-UHFFFAOYSA-M |
| TotalMolweight | 413.408 |
| Molweight | 413.408 |
| MonoisotopicMass | 413.113748 |
| CLogP | 2.4644 |
| CLogS | -6.258 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 320.08 |
| Relative PSA | 0.27318 |
| PolarSurfaceArea | 103.96 |
| Druglikeness | 4.5801 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-[[4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]phenoxy]methyl]benzoate | 2 - 3-[[4-[(Z)-(1-benzofuran-2-carbonylhydrazinylidene)methyl]phenoxy]methyl]benzoate
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