2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetate

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

Click to Load Molecule:

1 - 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetate | 2 - 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetate

Request More Details | 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-hydroxy-4-oxochromen-7-yl]oxyacetate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments