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

Formula:C17H12O4BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(3-bromo-2-hydroxyphenyl)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(3-bromo-2-hydroxyphenyl)-3-(6-chloro-4H-1,3-benzodioxin-8-yl)prop-2-en-1-one
MolecularFormula	C17H12O4BrCl
Smiles	Oc(c(C(/C=C/c1c2OCOCc2cc(Cl)c1)=O)ccc1)c1Br
InChI	InChI=1S/C17H12BrClO4/c18-14-3-1-2-13(16(14)21)15(20)5-4-10-6-12(19)7-11-8-22-9-23-17(10)11/h1-7,21H,8-9H2
InChIK	FNFOHEABPGBPDO-UHFFFAOYSA-N
TotalMolweight	395.635
Molweight	395.635
MonoisotopicMass	393.960748
CLogP	3.7842
CLogS	-5.819
H Acceptors	4
H Donors	1
TotalSurfaceArea	251.69
Relative PSA	0.18332
PolarSurfaceArea	55.76
Druglikeness	-1.7811
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52174
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
StereoCon

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