| MolName | 2-[2-[(Z)-[[2-[(2-phenylacetyl)amino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C19H19N3O5 |
| Smiles | OC(COc1c(/C=N\NC(CNC(Cc2ccccc2)=O)=O)cccc1)=O |
| InChI | InChI=1S/C19H19N3O5/c23-17(10-14-6-2-1-3-7-14)20-12-18(24)22-21-11-15-8-4-5-9-16(15)27-13-19(25)26/h1-9,11H,10,12-13H2,(H,20,23)(H,22,24)(H,25,26) |
| InChIK | YBOQBFYICSTUHN-UHFFFAOYSA-N |
| TotalMolweight | 369.376 |
| Molweight | 369.376 |
| MonoisotopicMass | 369.132472 |
| CLogP | 1.3434 |
| CLogS | -3.246 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 291.58 |
| Relative PSA | 0.33147 |
| PolarSurfaceArea | 117.09 |
| Druglikeness | 5.4242 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-[[2-[(2-phenylacetyl)amino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-[[2-[(2-phenylacetyl)amino]acetyl]hydrazinylidene]methyl]phenoxy]acetic acid