(E)-3-(1-benzofuran-2-yl)-1-(5-bromo-2-hydroxyphenyl)prop-2-en-1-one

Formula:C17H11O3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(1-benzofuran-2-yl)-1-(5-bromo-2-hydroxyphenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(1-benzofuran-2-yl)-1-(5-bromo-2-hydroxyphenyl)prop-2-en-1-one
MolecularFormula	C17H11O3Br
Smiles	Oc(ccc(Br)c1)c1C(/C=C/c1cc(cccc2)c2o1)=O
InChI	InChI=1S/C17H11BrO3/c18-12-5-7-15(19)14(10-12)16(20)8-6-13-9-11-3-1-2-4-17(11)21-13/h1-10,19H
InChIK	PDAXBDUDVCNQTP-UHFFFAOYSA-N
TotalMolweight	343.175
Molweight	343.175
MonoisotopicMass	341.989156
CLogP	4.1889
CLogS	-5.561
H Acceptors	3
H Donors	1
TotalSurfaceArea	226.54
Relative PSA	0.17767
PolarSurfaceArea	50.44
Druglikeness	-1.2448
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	1
StereoCon

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