2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetate
Molecular Formula : C19H13O8 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetate is a drug-like molecule.
MolName : 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetate |
MolecularFormula : C19H13O8 |
Smiles : [O-]C(COc(cc1O)cc(OC=C2c(cc3)cc4c3OCCO4)c1C2=O)=O |
InChI : InChI=1S/C19H14O8/c20-13-6-11(26-9-17(21)22)7-16-18(13)19(23)12(8-27-16)10-1-2-14-15(5-10)25-4-3-24-14/h1-2,5-8,20H,3-4,9H2,(H,21,22)/p-1 |
InChIK : YLPRMPHWVXULJH-UHFFFAOYSA-M |
TotalMolweight : 369.304 |
Molweight : 369.304 |
MonoisotopicMass : 369.061045 |
CLogP : -0.7186 |
CLogS : -3.294 |
H Acceptors : 8 |
H Donors : 1 |
TotalSurfaceArea : 261.39 |
Relative PSA : 0.35755 |
PolarSurfaceArea : 114.35 |
Druglikeness : -6.6289 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.59259 |
Fragments : 1 |
Non HAtoms : 27 |
NonCHAtoms : 8 |
Electronegative Atoms : 8 |
Rotatable Bond : 4 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 9 |
AcidicOxygens : 1 |
StereoCon : |