4-[[2-[(Z)-(benzoylhydrazinylidene)methyl]phenoxy]methyl]benzoate
Formula:C22H17N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[[2-[(Z)-(benzoylhydrazinylidene)methyl]phenoxy]methyl]benzoate is a drug-like molecule.
| MolName | 4-[[2-[(Z)-(benzoylhydrazinylidene)methyl]phenoxy]methyl]benzoate |
| MolecularFormula | C22H17N2O4 |
| Smiles | [O-]C(c1ccc(COc2c(/C=N\NC(c3ccccc3)=O)cccc2)cc1)=O |
| InChI | InChI=1S/C22H18N2O4/c25-21(17-6-2-1-3-7-17)24-23-14-19-8-4-5-9-20(19)28-15-16-10-12-18(13-11-16)22(26)27/h1-14H,15H2,(H,24,25)(H,26,27)/p-1 |
| InChIK | QLTYVDSXFHSRIA-UHFFFAOYSA-M |
| TotalMolweight | 373.387 |
| Molweight | 373.387 |
| MonoisotopicMass | 373.118833 |
| CLogP | 1.9588 |
| CLogS | -5.075 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 295.79 |
| Relative PSA | 0.24791 |
| PolarSurfaceArea | 90.82 |
| Druglikeness | 4.069 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[[2-[(Z)-(benzoylhydrazinylidene)methyl]phenoxy]methyl]benzoate | 2 - 4-[[2-[(Z)-(benzoylhydrazinylidene)methyl]phenoxy]methyl]benzoate
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