(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-thiophen-2-ylprop-2-en-1-one
Molecular Formula : C15H12O3S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-thiophen-2-ylprop-2-en-1-one is a drug-like molecule.
MolName : (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-thiophen-2-ylprop-2-en-1-one |
MolecularFormula : C15H12O3S |
Smiles : O=C(/C=C/c1cccs1)c(cc1)cc2c1OCCO2 |
InChI : InChI=1S/C15H12O3S/c16-13(5-4-12-2-1-9-19-12)11-3-6-14-15(10-11)18-8-7-17-14/h1-6,9-10H,7-8H2 |
InChIK : KQIXHUADUXXJNH-UHFFFAOYSA-N |
TotalMolweight : 272.323 |
Molweight : 272.323 |
MonoisotopicMass : 272.050715 |
CLogP : 3.1492 |
CLogS : -4.032 |
H Acceptors : 3 |
TotalSurfaceArea : 207.23 |
Relative PSA : 0.25768 |
PolarSurfaceArea : 63.77 |
Druglikeness : -4.6691 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.63158 |
Fragments : 1 |
Non HAtoms : 19 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
Rotatable Bond : 3 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 11 |
Sp3Atoms : 4 |
StereoCon : |