(E)-3-[5-bromo-2-[(3-fluorophenyl)methoxy]phenyl]prop-2-enoate
Formula:C16H11O3BrF
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-3-[5-bromo-2-[(3-fluorophenyl)methoxy]phenyl]prop-2-enoate is a drug-like molecule.
| MolName | (E)-3-[5-bromo-2-[(3-fluorophenyl)methoxy]phenyl]prop-2-enoate |
| MolecularFormula | C16H11O3BrF |
| Smiles | [O-]C(/C=C/c(cc(cc1)Br)c1OCc1cc(F)ccc1)=O |
| InChI | InChI=1S/C16H12BrFO3/c17-13-5-6-15(12(9-13)4-7-16(19)20)21-10-11-2-1-3-14(18)8-11/h1-9H,10H2,(H,19,20)/p-1 |
| InChIK | JVHLPQYMIURJIF-UHFFFAOYSA-M |
| TotalMolweight | 350.162 |
| Molweight | 350.162 |
| MonoisotopicMass | 348.987559 |
| CLogP | 1.572 |
| CLogS | -4.488 |
| H Acceptors | 3 |
| TotalSurfaceArea | 233.54 |
| Relative PSA | 0.1598 |
| PolarSurfaceArea | 49.36 |
| Druglikeness | -3.9345 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| 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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