(E)-3-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
Formula:C16H12O3BrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoic acid |
| MolecularFormula | C16H12O3BrF |
| Smiles | OC(/C=C/c(cc1)cc(Br)c1OCc(cc1)ccc1F)=O |
| InChI | InChI=1S/C16H12BrFO3/c17-14-9-11(4-8-16(19)20)3-7-15(14)21-10-12-1-5-13(18)6-2-12/h1-9H,10H2,(H,19,20) |
| InChIK | WESKIUVJFRPHRF-UHFFFAOYSA-N |
| TotalMolweight | 351.17 |
| Molweight | 351.17 |
| MonoisotopicMass | 349.995384 |
| CLogP | 3.648 |
| CLogS | -4.488 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 232.36 |
| Relative PSA | 0.15553 |
| PolarSurfaceArea | 46.53 |
| Druglikeness | -3.1412 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| 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 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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