(E)-3-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
Formula:C16H11O3Cl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]prop-2-enoic acid |
| MolecularFormula | C16H11O3Cl2F |
| Smiles | OC(/C=C/c(cc1Cl)cc(Cl)c1OCc1cc(F)ccc1)=O |
| InChI | InChI=1S/C16H11Cl2FO3/c17-13-7-10(4-5-15(20)21)8-14(18)16(13)22-9-11-2-1-3-12(19)6-11/h1-8H,9H2,(H,20,21) |
| InChIK | CWOPAAHITDMZTK-UHFFFAOYSA-N |
| TotalMolweight | 341.164 |
| Molweight | 341.164 |
| MonoisotopicMass | 340.006927 |
| CLogP | 4.1348 |
| CLogS | -5.126 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 244.57 |
| Relative PSA | 0.14777 |
| PolarSurfaceArea | 46.53 |
| Druglikeness | -1.2466 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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