[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate

Formula:C17H14O6 Mutagenic:high Tumorigenic:none Reproductive Effective:none [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
MolecularFormula	C17H14O6
Smiles	O=C(COC(/C=C/c1ccco1)=O)c(cc1)cc2c1OCCO2
InChI	InChI=1S/C17H14O6/c18-14(11-23-17(19)6-4-13-2-1-7-20-13)12-3-5-15-16(10-12)22-9-8-21-15/h1-7,10H,8-9,11H2
InChIK	XMVCDQBOJXEDCY-UHFFFAOYSA-N
TotalMolweight	314.292
Molweight	314.292
MonoisotopicMass	314.07904
CLogP	2.0292
CLogS	-3.607
H Acceptors	6
TotalSurfaceArea	242.49
Relative PSA	0.28946
PolarSurfaceArea	74.97
Druglikeness	-7.4147
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
StereoCon

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1 - [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate | 2 - [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate

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