(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylprop-2-en-1-one
Molecular Formula : C17H14O3 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylprop-2-en-1-one is a drug-like molecule.
MolName : (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylprop-2-en-1-one |
MolecularFormula : C17H14O3 |
Smiles : O=C(/C=C/c(cc1)cc2c1OCCO2)c1ccccc1 |
InChI : InChI=1S/C17H14O3/c18-15(14-4-2-1-3-5-14)8-6-13-7-9-16-17(12-13)20-11-10-19-16/h1-9,12H,10-11H2 |
InChIK : JMBNMSBPJPYQPQ-UHFFFAOYSA-N |
TotalMolweight : 266.295 |
Molweight : 266.295 |
MonoisotopicMass : 266.094295 |
CLogP : 3.2826 |
CLogS : -4.022 |
H Acceptors : 3 |
TotalSurfaceArea : 211.29 |
Relative PSA : 0.15637 |
PolarSurfaceArea : 35.53 |
Druglikeness : -7.0175 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.65 |
Fragments : 1 |
Non HAtoms : 20 |
NonCHAtoms : 3 |
Electronegative Atoms : 3 |
Rotatable Bond : 3 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 4 |
Symmetricatoms : 2 |
StereoCon : |