| MolName | (4Z)-4-phenyl-4-[[2-[(2-phenylacetyl)amino]acetyl]hydrazinylidene]butanoic acid |
| MolecularFormula | C20H21N3O4 |
| Smiles | OC(CC/C(/c1ccccc1)=N/NC(CNC(Cc1ccccc1)=O)=O)=O |
| InChI | InChI=1S/C20H21N3O4/c24-18(13-15-7-3-1-4-8-15)21-14-19(25)23-22-17(11-12-20(26)27)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,21,24)(H,23,25)(H,26,27) |
| InChIK | YMCSBEUNRFJUEA-UHFFFAOYSA-N |
| TotalMolweight | 367.404 |
| Molweight | 367.404 |
| MonoisotopicMass | 367.153207 |
| CLogP | 1.8538 |
| CLogS | -3.828 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 293.55 |
| Relative PSA | 0.29518 |
| PolarSurfaceArea | 107.86 |
| Druglikeness | 3.4913 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (4Z)-4-phenyl-4-[[2-[(2-phenylacetyl)amino]acetyl]hydrazinylidene]butanoic acid | 2 - (4Z)-4-phenyl-4-[[2-[(2-phenylacetyl)amino]acetyl]hydrazinylidene]butanoic acid