2-[4-[(Z)-(benzoylhydrazinylidene)methyl]-2-(carboxymethoxy)phenoxy]acetic acid
Formula:C18H16N2O7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(Z)-(benzoylhydrazinylidene)methyl]-2-(carboxymethoxy)phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[4-[(Z)-(benzoylhydrazinylidene)methyl]-2-(carboxymethoxy)phenoxy]acetic acid |
| MolecularFormula | C18H16N2O7 |
| Smiles | OC(COc(ccc(/C=N\NC(c1ccccc1)=O)c1)c1OCC(O)=O)=O |
| InChI | InChI=1S/C18H16N2O7/c21-16(22)10-26-14-7-6-12(8-15(14)27-11-17(23)24)9-19-20-18(25)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,20,25)(H,21,22)(H,23,24) |
| InChIK | KNTJIPHOPPWJLG-UHFFFAOYSA-N |
| TotalMolweight | 372.332 |
| Molweight | 372.332 |
| MonoisotopicMass | 372.095753 |
| CLogP | 1.3216 |
| CLogS | -3.307 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 282.71 |
| Relative PSA | 0.38304 |
| PolarSurfaceArea | 134.52 |
| Druglikeness | 4.197 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 2-[4-[(Z)-(benzoylhydrazinylidene)methyl]-2-(carboxymethoxy)phenoxy]acetic acid | 2 - 2-[4-[(Z)-(benzoylhydrazinylidene)methyl]-2-(carboxymethoxy)phenoxy]acetic acid
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