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

Formula:C13H9O3Br Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-1-(5-bromo-2-hydroxyphenyl)-3-(furan-2-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(5-bromo-2-hydroxyphenyl)-3-(furan-2-yl)prop-2-en-1-one
MolecularFormula	C13H9O3Br
Smiles	Oc(ccc(Br)c1)c1C(/C=C/c1ccco1)=O
InChI	InChI=1S/C13H9BrO3/c14-9-3-5-12(15)11(8-9)13(16)6-4-10-2-1-7-17-10/h1-8,15H
InChIK	FHDMEGWONAAPEK-UHFFFAOYSA-N
TotalMolweight	293.115
Molweight	293.115
MonoisotopicMass	291.973506
CLogP	2.872
CLogS	-4.06
H Acceptors	3
H Donors	1
TotalSurfaceArea	191.94
Relative PSA	0.2097
PolarSurfaceArea	50.44
Druglikeness	-1.4535
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58824
Fragments	1
Non HAtoms	17
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
StereoCon

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