2-[2-[(Z)-(benzhydrylidenehydrazinylidene)methyl]phenoxy]acetate
Formula:C22H17N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-(benzhydrylidenehydrazinylidene)methyl]phenoxy]acetate is a drug-like molecule.
| MolName | 2-[2-[(Z)-(benzhydrylidenehydrazinylidene)methyl]phenoxy]acetate |
| MolecularFormula | C22H17N2O3 |
| Smiles | [O-]C(COc1c(/C=N\N=C(c2ccccc2)c2ccccc2)cccc1)=O |
| InChI | InChI=1S/C22H18N2O3/c25-21(26)16-27-20-14-8-7-13-19(20)15-23-24-22(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-15H,16H2,(H,25,26)/p-1 |
| InChIK | ZNYHAPAITANWLB-UHFFFAOYSA-M |
| TotalMolweight | 357.388 |
| Molweight | 357.388 |
| MonoisotopicMass | 357.123918 |
| CLogP | 2.9663 |
| CLogS | -5.701 |
| H Acceptors | 5 |
| TotalSurfaceArea | 289.55 |
| Relative PSA | 0.20839 |
| PolarSurfaceArea | 74.08 |
| Druglikeness | 1.6821 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-(benzhydrylidenehydrazinylidene)methyl]phenoxy]acetate | 2 - 2-[2-[(Z)-(benzhydrylidenehydrazinylidene)methyl]phenoxy]acetate
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