(E)-2-phenyl-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
Formula:C22H18O3
Mutagenic:none
Tumorigenic:low
Reproductive Effective:high
(E)-2-phenyl-3-(4-phenylmethoxyphenyl)prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-2-phenyl-3-(4-phenylmethoxyphenyl)prop-2-enoic acid |
| MolecularFormula | C22H18O3 |
| Smiles | OC(/C(/c1ccccc1)=C/c(cc1)ccc1OCc1ccccc1)=O |
| InChI | InChI=1S/C22H18O3/c23-22(24)21(19-9-5-2-6-10-19)15-17-11-13-20(14-12-17)25-16-18-7-3-1-4-8-18/h1-15H,16H2,(H,23,24) |
| InChIK | GHIXOMKXVXTZOO-UHFFFAOYSA-N |
| TotalMolweight | 330.382 |
| Molweight | 330.382 |
| MonoisotopicMass | 330.125595 |
| CLogP | 4.1588 |
| CLogS | -4.297 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 265.35 |
| Relative PSA | 0.1362 |
| PolarSurfaceArea | 46.53 |
| Druglikeness | 0.15314 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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