6-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-2,3-dihydro-1,4-benzodioxine
Molecular Formula : C18H16O4 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : high |6-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-2,3-dihydro-1,4-benzodioxine is a drug-like molecule.
MolName : 6-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-2,3-dihydro-1,4-benzodioxine |
MolecularFormula : C18H16O4 |
Smiles : C1Oc(ccc(/C=C/c(cc2)cc3c2OCCO3)c2)c2OC1 |
InChI : InChI=1S/C18H16O4/c1(13-3-5-15-17(11-13)21-9-7-19-15)2-14-4-6-16-18(12-14)22-10-8-20-16/h1-6,11-12H,7-10H2 |
InChIK : NHYUUMHHFNGVFN-UHFFFAOYSA-N |
TotalMolweight : 296.321 |
Molweight : 296.321 |
MonoisotopicMass : 296.10486 |
CLogP : 3.8242 |
CLogS : -4.116 |
H Acceptors : 4 |
TotalSurfaceArea : 227.56 |
Relative PSA : 0.17578 |
PolarSurfaceArea : 36.92 |
Druglikeness : -8.8151 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : high |
Irritant : none |
Nasty Functions : |
Shape Index : 0.63636 |
Fragments : 1 |
Non HAtoms : 22 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
Rotatable Bond : 2 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 8 |
Symmetricatoms : 11 |
StereoCon : |