2-[4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]phenyl]acetic acid
Formula:C20H18O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]phenyl]acetic acid is a drug-like molecule.
| MolName | 2-[4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]phenyl]acetic acid |
| MolecularFormula | C20H18O2 |
| Smiles | OC(Cc1ccc(/C=C/C=C/C=C/c2ccccc2)cc1)=O |
| InChI | InChI=1S/C20H18O2/c21-20(22)16-19-14-12-18(13-15-19)11-5-2-1-4-8-17-9-6-3-7-10-17/h1-15H,16H2,(H,21,22) |
| InChIK | LOMWYEZODYXEIS-UHFFFAOYSA-N |
| TotalMolweight | 290.361 |
| Molweight | 290.361 |
| MonoisotopicMass | 290.13068 |
| CLogP | 4.663 |
| CLogS | -4.354 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 250.38 |
| Relative PSA | 0.1044 |
| PolarSurfaceArea | 37.3 |
| Druglikeness | -0.73896 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.77273 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]phenyl]acetic acid | 2 - 2-[4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]phenyl]acetic acid
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