(E)-3-[5-chloro-2-(difluoromethoxy)phenyl]prop-2-enoic acid
Molecular 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 : |