(E)-4-oxo-8-phenyloct-6-enoic acid
Formula:C14H16O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-oxo-8-phenyloct-6-enoic acid is a drug-like molecule.
| MolName | (E)-4-oxo-8-phenyloct-6-enoic acid |
| MolecularFormula | C14H16O3 |
| Smiles | OC(CCC(C/C=C/Cc1ccccc1)=O)=O |
| InChI | InChI=1S/C14H16O3/c15-13(10-11-14(16)17)9-5-4-8-12-6-2-1-3-7-12/h1-7H,8-11H2,(H,16,17) |
| InChIK | WAUSLDMUJCKLHW-UHFFFAOYSA-N |
| TotalMolweight | 232.278 |
| Molweight | 232.278 |
| MonoisotopicMass | 232.109945 |
| CLogP | 2.564 |
| CLogS | -2.638 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 196.65 |
| Relative PSA | 0.19924 |
| PolarSurfaceArea | 54.37 |
| Druglikeness | -2.8653 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.76471 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 7 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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