| MolName | (4Z)-4-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]-4-phenylbutanoic acid |
| MolecularFormula | C26H25N3O4 |
| Smiles | OC(CC/C(/c1ccccc1)=N/NC(CNC(C(c1ccccc1)c1ccccc1)=O)=O)=O |
| InChI | InChI=1S/C26H25N3O4/c30-23(29-28-22(16-17-24(31)32)19-10-4-1-5-11-19)18-27-26(33)25(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,25H,16-18H2,(H,27,33)(H,29,30)(H,31,32) |
| InChIK | ORJKJVHOIJUDHN-UHFFFAOYSA-N |
| TotalMolweight | 443.502 |
| Molweight | 443.502 |
| MonoisotopicMass | 443.184507 |
| CLogP | 3.3814 |
| CLogS | -4.977 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 352.05 |
| Relative PSA | 0.24613 |
| PolarSurfaceArea | 107.86 |
| Druglikeness | 4.0589 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 10 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (4Z)-4-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]-4-phenylbutanoic acid | 2 - (4Z)-4-[[2-[(2,2-diphenylacetyl)amino]acetyl]hydrazinylidene]-4-phenylbutanoic acid