| MolName | (4Z)-4-[(Z)-(3-carboxy-1-phenylpropylidene)hydrazinylidene]-4-phenylbutanoic acid |
| MolecularFormula | C20H20N2O4 |
| Smiles | OC(CC/C(/c1ccccc1)=N/N=C(/CCC(O)=O)\c1ccccc1)=O |
| InChI | InChI=1S/C20H20N2O4/c23-19(24)13-11-17(15-7-3-1-4-8-15)21-22-18(12-14-20(25)26)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,23,24)(H,25,26) |
| InChIK | AXCOIWORIPCYRY-UHFFFAOYSA-N |
| TotalMolweight | 352.389 |
| Molweight | 352.389 |
| MonoisotopicMass | 352.142308 |
| CLogP | 3.9264 |
| CLogS | -4.882 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 282.2 |
| Relative PSA | 0.26683 |
| PolarSurfaceArea | 99.32 |
| Druglikeness | -0.60703 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 15 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - (4Z)-4-[(Z)-(3-carboxy-1-phenylpropylidene)hydrazinylidene]-4-phenylbutanoic acid | 2 - (4Z)-4-[(Z)-(3-carboxy-1-phenylpropylidene)hydrazinylidene]-4-phenylbutanoic acid