(E)-3-(1,3-benzodioxol-5-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one
Molecular Formula : C18H14O5 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : high |(E)-3-(1,3-benzodioxol-5-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one is a drug-like molecule.
MolName : (E)-3-(1,3-benzodioxol-5-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one |
MolecularFormula : C18H14O5 |
Smiles : O=C(/C=C/c(cc1)cc2c1OCO2)c(cc1)cc2c1OCCO2 |
InChI : InChI=1S/C18H14O5/c19-14(13-3-6-15-18(10-13)21-8-7-20-15)4-1-12-2-5-16-17(9-12)23-11-22-16/h1-6,9-10H,7-8,11H2 |
InChIK : MAKLCKLUFVSVCF-UHFFFAOYSA-N |
TotalMolweight : 310.304 |
Molweight : 310.304 |
MonoisotopicMass : 310.084125 |
CLogP : 3.394 |
CLogS : -4.733 |
H Acceptors : 5 |
TotalSurfaceArea : 231.55 |
Relative PSA : 0.22906 |
PolarSurfaceArea : 53.99 |
Druglikeness : -7.027 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : high |
Irritant : none |
Nasty Functions : |
Shape Index : 0.6087 |
Fragments : 1 |
Non HAtoms : 23 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 3 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 7 |
StereoCon : |