(E)-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
Formula:C16H12O3ClF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]prop-2-enoic acid |
| MolecularFormula | C16H12O3ClF |
| Smiles | OC(/C=C/c(cc1)ccc1OCc(c(F)ccc1)c1Cl)=O |
| InChI | InChI=1S/C16H12ClFO3/c17-14-2-1-3-15(18)13(14)10-21-12-7-4-11(5-8-12)6-9-16(19)20/h1-9H,10H2,(H,19,20) |
| InChIK | IQKGJSMNIONIGP-UHFFFAOYSA-N |
| TotalMolweight | 306.719 |
| Molweight | 306.719 |
| MonoisotopicMass | 306.0459 |
| CLogP | 3.5288 |
| CLogS | -4.39 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 229.15 |
| Relative PSA | 0.15771 |
| PolarSurfaceArea | 46.53 |
| Druglikeness | -1.2466 |
| 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 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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