| MolName | 2-[2-[(Z)-[[2-[(2-phenoxyacetyl)amino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C19H19N3O6 |
| Smiles | OC(COc1c(/C=N\NC(CNC(COc2ccccc2)=O)=O)cccc1)=O |
| InChI | InChI=1S/C19H19N3O6/c23-17(11-20-18(24)12-27-15-7-2-1-3-8-15)22-21-10-14-6-4-5-9-16(14)28-13-19(25)26/h1-10H,11-13H2,(H,20,24)(H,22,23)(H,25,26) |
| InChIK | IFZWCFULVVEBGB-UHFFFAOYSA-N |
| TotalMolweight | 385.375 |
| Molweight | 385.375 |
| MonoisotopicMass | 385.127387 |
| CLogP | 0.9202 |
| CLogS | -3.061 |
| H Acceptors | 9 |
| H Donors | 3 |
| TotalSurfaceArea | 301.58 |
| Relative PSA | 0.35364 |
| PolarSurfaceArea | 126.32 |
| Druglikeness | 5.2568 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 10 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-[[2-[(2-phenoxyacetyl)amino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-[[2-[(2-phenoxyacetyl)amino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid