(E)-3-(1,3-benzodioxol-5-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one

Formula:C18H14O5 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one
MolecularFormula	C18H14O5
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)c(cc1)cc2c1OCCO2
InChI	InChI=1S/C18H14O5/c19-14(13-3-6-15-18(10-13)21-8-7-20-15)4-1-12-2-5-16-17(9-12)23-11-22-16/h1-6,9-10H,7-8,11H2
InChIK	MAKLCKLUFVSVCF-UHFFFAOYSA-N
TotalMolweight	310.304
Molweight	310.304
MonoisotopicMass	310.084125
CLogP	3.394
CLogS	-4.733
H Acceptors	5
TotalSurfaceArea	231.55
Relative PSA	0.22906
PolarSurfaceArea	53.99
Druglikeness	-7.027
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
StereoCon

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