(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(furan-2-yl)prop-2-en-1-one

Formula:C15H12O4 Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(furan-2-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(furan-2-yl)prop-2-en-1-one
MolecularFormula	C15H12O4
Smiles	O=C(/C=C/c1ccco1)c(cc1)cc2c1OCCO2
InChI	InChI=1S/C15H12O4/c16-13(5-4-12-2-1-7-17-12)11-3-6-14-15(10-11)19-9-8-18-14/h1-7,10H,8-9H2
InChIK	JQOHIWYSRXRXEL-UHFFFAOYSA-N
TotalMolweight	256.256
Molweight	256.256
MonoisotopicMass	256.07356
CLogP	2.4713
CLogS	-3.704
H Acceptors	4
TotalSurfaceArea	200.98
Relative PSA	0.2346
PolarSurfaceArea	48.67
Druglikeness	-6.7234
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63158
Fragments	1
Non HAtoms	19
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
StereoCon

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