(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(furan-2-yl)prop-2-en-1-one
Molecular Formula : C15H12O4 | Mutagenic : high | Tumorigenic : none | Reproductive Effective : none |(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(furan-2-yl)prop-2-en-1-one is a drug-like molecule.
MolName : (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(furan-2-yl)prop-2-en-1-one |
MolecularFormula : C15H12O4 |
Smiles : O=C(/C=C/c1ccco1)c(cc1)cc2c1OCCO2 |
InChI : InChI=1S/C15H12O4/c16-13(5-4-12-2-1-7-17-12)11-3-6-14-15(10-11)19-9-8-18-14/h1-7,10H,8-9H2 |
InChIK : JQOHIWYSRXRXEL-UHFFFAOYSA-N |
TotalMolweight : 256.256 |
Molweight : 256.256 |
MonoisotopicMass : 256.07356 |
CLogP : 2.4713 |
CLogS : -3.704 |
H Acceptors : 4 |
TotalSurfaceArea : 200.98 |
Relative PSA : 0.2346 |
PolarSurfaceArea : 48.67 |
Druglikeness : -6.7234 |
Mutagenic : high |
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 : |