(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoic acid
Molecular Formula : C11H10O3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoic acid is a drug-like molecule.
MolName : (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoic acid |
MolecularFormula : C11H10O3 |
Smiles : OC(/C=C/c(cc1)cc2c1OCC2)=O |
InChI : InChI=1S/C11H10O3/c12-11(13)4-2-8-1-3-10-9(7-8)5-6-14-10/h1-4,7H,5-6H2,(H,12,13) |
InChIK : KNKNRFWCOVWKHJ-UHFFFAOYSA-N |
TotalMolweight : 190.197 |
Molweight : 190.197 |
MonoisotopicMass : 190.062995 |
CLogP : 1.6997 |
CLogS : -2.366 |
H Acceptors : 3 |
H Donors : 1 |
TotalSurfaceArea : 147.88 |
Relative PSA : 0.24439 |
PolarSurfaceArea : 46.53 |
Druglikeness : -0.22636 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.64286 |
Fragments : 1 |
Non HAtoms : 14 |
NonCHAtoms : 3 |
Electronegative Atoms : 3 |
Rotatable Bond : 2 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 1 |
Aromatic Atoms : 6 |
Sp3Atoms : 4 |
AcidicOxygens : 1 |
StereoCon : |