| MolName | (4Z)-4-[[2-[[2-(4-chlorophenyl)acetyl]amino]acetyl]hydrazinylidene]-4-phenylbutanoic acid |
| MolecularFormula | C20H20N3O4Cl |
| Smiles | OC(CC/C(/c1ccccc1)=N/NC(CNC(Cc(cc1)ccc1Cl)=O)=O)=O |
| InChI | InChI=1S/C20H20ClN3O4/c21-16-8-6-14(7-9-16)12-18(25)22-13-19(26)24-23-17(10-11-20(27)28)15-4-2-1-3-5-15/h1-9H,10-13H2,(H,22,25)(H,24,26)(H,27,28) |
| InChIK | LBPJVHVHIPJHMG-UHFFFAOYSA-N |
| TotalMolweight | 401.849 |
| Molweight | 401.849 |
| MonoisotopicMass | 401.114234 |
| CLogP | 2.4598 |
| CLogS | -4.564 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 308.97 |
| Relative PSA | 0.28045 |
| PolarSurfaceArea | 107.86 |
| Druglikeness | 3.5538 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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-[[2-[[2-(4-chlorophenyl)acetyl]amino]acetyl]hydrazinylidene]-4-phenylbutanoic acid | 2 - (4Z)-4-[[2-[[2-(4-chlorophenyl)acetyl]amino]acetyl]hydrazinylidene]-4-phenylbutanoic acid