MolName : (E)-1-(1-benzofuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one |
MolecularFormula : C19H14O4 |
Smiles : O=C(/C=C/c(cc1)cc2c1OCCO2)c1cc(cccc2)c2o1 |
InChI : InChI=1S/C19H14O4/c20-15(18-12-14-3-1-2-4-16(14)23-18)7-5-13-6-8-17-19(11-13)22-10-9-21-17/h1-8,11-12H,9-10H2 |
InChIK : IDFAZSZLKUMPMI-UHFFFAOYSA-N |
TotalMolweight : 306.316 |
Molweight : 306.316 |
MonoisotopicMass : 306.08921 |
CLogP : 3.7882 |
CLogS : -5.205 |
H Acceptors : 4 |
TotalSurfaceArea : 235.58 |
Relative PSA : 0.20014 |
PolarSurfaceArea : 48.67 |
Druglikeness : -6.1919 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.6087 |
Fragments : 1 |
Non HAtoms : 23 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
Rotatable Bond : 3 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 3 |
Aromatic Atoms : 15 |
Sp3Atoms : 4 |
StereoCon : |