(E)-3-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enoate
Formula:C16H11O3ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enoate is a drug-like molecule.
| MolName | (E)-3-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enoate |
| MolecularFormula | C16H11O3ClF |
| Smiles | [O-]C(/C=C/c(cc1)cc(Cl)c1OCc1cc(F)ccc1)=O |
| InChI | InChI=1S/C16H12ClFO3/c17-14-9-11(5-7-16(19)20)4-6-15(14)21-10-12-2-1-3-13(18)8-12/h1-9H,10H2,(H,19,20)/p-1 |
| InChIK | HQWLODFCSDJKCI-UHFFFAOYSA-M |
| TotalMolweight | 305.711 |
| Molweight | 305.711 |
| MonoisotopicMass | 305.038075 |
| CLogP | 1.4528 |
| CLogS | -4.39 |
| H Acceptors | 3 |
| TotalSurfaceArea | 230.33 |
| Relative PSA | 0.16203 |
| PolarSurfaceArea | 49.36 |
| Druglikeness | -2.022 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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