2-[2-[(Z)-(benzoylhydrazinylidene)methyl]phenoxy]acetate
Formula:C16H13N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-(benzoylhydrazinylidene)methyl]phenoxy]acetate is a drug-like molecule.
| MolName | 2-[2-[(Z)-(benzoylhydrazinylidene)methyl]phenoxy]acetate |
| MolecularFormula | C16H13N2O4 |
| Smiles | [O-]C(COc1c(/C=N\NC(c2ccccc2)=O)cccc1)=O |
| InChI | InChI=1S/C16H14N2O4/c19-15(20)11-22-14-9-5-4-8-13(14)10-17-18-16(21)12-6-2-1-3-7-12/h1-10H,11H2,(H,18,21)(H,19,20)/p-1 |
| InChIK | JXXKPNHOVGQTAT-UHFFFAOYSA-M |
| TotalMolweight | 297.289 |
| Molweight | 297.289 |
| MonoisotopicMass | 297.087533 |
| CLogP | 0.1856 |
| CLogS | -3.514 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 236.03 |
| Relative PSA | 0.31068 |
| PolarSurfaceArea | 90.82 |
| Druglikeness | 4.2464 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-(benzoylhydrazinylidene)methyl]phenoxy]acetate | 2 - 2-[2-[(Z)-(benzoylhydrazinylidene)methyl]phenoxy]acetate
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