(E)-3-[5-chloro-2-(difluoromethoxy)phenyl]prop-2-enoic acid
Formula:C10H7O3ClF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[5-chloro-2-(difluoromethoxy)phenyl]prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-[5-chloro-2-(difluoromethoxy)phenyl]prop-2-enoic acid |
| MolecularFormula | C10H7O3ClF2 |
| Smiles | OC(/C=C/c(cc(cc1)Cl)c1OC(F)F)=O |
| InChI | InChI=1S/C10H7ClF2O3/c11-7-2-3-8(16-10(12)13)6(5-7)1-4-9(14)15/h1-5,10H,(H,14,15) |
| InChIK | CHRACTNYZGBMOH-UHFFFAOYSA-N |
| TotalMolweight | 248.612 |
| Molweight | 248.612 |
| MonoisotopicMass | 248.005178 |
| CLogP | 2.2493 |
| CLogS | -3.357 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 174.48 |
| Relative PSA | 0.20713 |
| PolarSurfaceArea | 46.53 |
| Druglikeness | -2.4184 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-[5-chloro-2-(difluoromethoxy)phenyl]prop-2-enoic acid | 2 - (E)-3-[5-chloro-2-(difluoromethoxy)phenyl]prop-2-enoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off