(E)-3-(6-bromo-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one

Formula:C17H13O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(6-bromo-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(6-bromo-4H-1,3-benzodioxin-8-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one
MolecularFormula	C17H13O4Br
Smiles	Oc(cccc1)c1C(/C=C/c1c2OCOCc2cc(Br)c1)=O
InChI	InChI=1S/C17H13BrO4/c18-13-7-11(17-12(8-13)9-21-10-22-17)5-6-16(20)14-3-1-2-4-15(14)19/h1-8,19H,9-10H2
InChIK	UACZZKPQYCPEBV-UHFFFAOYSA-N
TotalMolweight	361.19
Molweight	361.19
MonoisotopicMass	359.999721
CLogP	3.1782
CLogS	-5.083
H Acceptors	4
H Donors	1
TotalSurfaceArea	236.27
Relative PSA	0.19529
PolarSurfaceArea	55.76
Druglikeness	-1.8866
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
StereoCon

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