(Z)-2-(4-fluorophenyl)-3-(3-phenylmethoxyphenyl)prop-2-enoate
Formula:C22H16O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(Z)-2-(4-fluorophenyl)-3-(3-phenylmethoxyphenyl)prop-2-enoate is a drug-like molecule.
| MolName | (Z)-2-(4-fluorophenyl)-3-(3-phenylmethoxyphenyl)prop-2-enoate |
| MolecularFormula | C22H16O3F |
| Smiles | [O-]C(/C(/c(cc1)ccc1F)=C\c1cc(OCc2ccccc2)ccc1)=O |
| InChI | InChI=1S/C22H17FO3/c23-19-11-9-18(10-12-19)21(22(24)25)14-17-7-4-8-20(13-17)26-15-16-5-2-1-3-6-16/h1-14H,15H2,(H,24,25)/p-1 |
| InChIK | RAFNCTWGHCYKFY-UHFFFAOYSA-M |
| TotalMolweight | 347.364 |
| Molweight | 347.364 |
| MonoisotopicMass | 347.108348 |
| CLogP | 2.1836 |
| CLogS | -4.611 |
| H Acceptors | 3 |
| TotalSurfaceArea | 272.88 |
| Relative PSA | 0.13676 |
| PolarSurfaceArea | 49.36 |
| Druglikeness | -1.1768 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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