| MolName | (Z)-7-[3-hydroxy-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid |
| MolecularFormula | C23H30O5 |
| Smiles | OC(CCc1ccccc1)/C=C/C(C(C/C=C\CCCC(O)=O)C(C1)=O)C1O |
| InChI | InChI=1S/C23H30O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,14-15,18-20,22,24,26H,2,7,10-13,16H2,(H,27,28) |
| InChIK | FOBVMYJQWZOGGJ-UHFFFAOYSA-N |
| TotalMolweight | 386.486 |
| Molweight | 386.486 |
| MonoisotopicMass | 386.209325 |
| CLogP | 3.8715 |
| CLogS | -3.908 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 313.63 |
| Relative PSA | 0.20846 |
| PolarSurfaceArea | 94.83 |
| Druglikeness | -7.3598 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 4 |
| Rotatable Bond | 11 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 14 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon | unknown chirality |
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1 - (Z)-7-[3-hydroxy-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid | 2 - (Z)-7-[3-hydroxy-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid