2-[4-[(Z)-(benzoylhydrazinylidene)methyl]phenoxy]acetic acid
Formula:C16H14N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(Z)-(benzoylhydrazinylidene)methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[4-[(Z)-(benzoylhydrazinylidene)methyl]phenoxy]acetic acid |
| MolecularFormula | C16H14N2O4 |
| Smiles | OC(COc1ccc(/C=N\NC(c2ccccc2)=O)cc1)=O |
| InChI | InChI=1S/C16H14N2O4/c19-15(20)11-22-14-8-6-12(7-9-14)10-17-18-16(21)13-4-2-1-3-5-13/h1-10H,11H2,(H,18,21)(H,19,20) |
| InChIK | JKMPTVBNIJEIMV-UHFFFAOYSA-N |
| TotalMolweight | 298.297 |
| Molweight | 298.297 |
| MonoisotopicMass | 298.095358 |
| CLogP | 2.2616 |
| CLogS | -3.514 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 234.85 |
| Relative PSA | 0.30722 |
| PolarSurfaceArea | 87.99 |
| Druglikeness | 4.197 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| 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 | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[4-[(Z)-(benzoylhydrazinylidene)methyl]phenoxy]acetic acid | 2 - 2-[4-[(Z)-(benzoylhydrazinylidene)methyl]phenoxy]acetic acid
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