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

Formula:C17H13O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(4-bromophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(4-bromophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one
MolecularFormula	C17H13O3Br
Smiles	O=C(/C=C/c(cc1)cc2c1OCCO2)c(cc1)ccc1Br
InChI	InChI=1S/C17H13BrO3/c18-14-5-3-13(4-6-14)15(19)7-1-12-2-8-16-17(11-12)21-10-9-20-16/h1-8,11H,9-10H2
InChIK	BMXAHUJDURXUOE-UHFFFAOYSA-N
TotalMolweight	345.191
Molweight	345.191
MonoisotopicMass	344.004806
CLogP	4.0078
CLogS	-4.856
H Acceptors	3
TotalSurfaceArea	229.92
Relative PSA	0.1437
PolarSurfaceArea	35.53
Druglikeness	-8.8075
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	21
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
StereoCon

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