| MolName | (4Z)-4-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]-4-phenylbutanoic acid |
| MolecularFormula | C19H18N3O4F |
| Smiles | OC(CC/C(/c1ccccc1)=N/NC(CNC(c(cc1)ccc1F)=O)=O)=O |
| InChI | InChI=1S/C19H18FN3O4/c20-15-8-6-14(7-9-15)19(27)21-12-17(24)23-22-16(10-11-18(25)26)13-4-2-1-3-5-13/h1-9H,10-12H2,(H,21,27)(H,23,24)(H,25,26) |
| InChIK | GEUXDZKGUKXQEO-UHFFFAOYSA-N |
| TotalMolweight | 371.367 |
| Molweight | 371.367 |
| MonoisotopicMass | 371.128135 |
| CLogP | 1.9565 |
| CLogS | -4.177 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 286.14 |
| Relative PSA | 0.30282 |
| PolarSurfaceArea | 107.86 |
| Druglikeness | 1.8689 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (4Z)-4-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]-4-phenylbutanoic acid | 2 - (4Z)-4-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]-4-phenylbutanoic acid