(E)-3-[4-(3-fluoropropoxy)phenyl]prop-2-enoic acid
Formula:C12H13O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[4-(3-fluoropropoxy)phenyl]prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-[4-(3-fluoropropoxy)phenyl]prop-2-enoic acid |
| MolecularFormula | C12H13O3F |
| Smiles | OC(/C=C/c(cc1)ccc1OCCCF)=O |
| InChI | InChI=1S/C12H13FO3/c13-8-1-9-16-11-5-2-10(3-6-11)4-7-12(14)15/h2-7H,1,8-9H2,(H,14,15) |
| InChIK | OYMMKASGSUZMPT-UHFFFAOYSA-N |
| TotalMolweight | 224.23 |
| Molweight | 224.23 |
| MonoisotopicMass | 224.084873 |
| CLogP | 2.039 |
| CLogS | -2.662 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 181.49 |
| Relative PSA | 0.19913 |
| PolarSurfaceArea | 46.53 |
| Druglikeness | -1.5664 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.8125 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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