(E)-1-(4-bromophenyl)-3-(furan-2-yl)prop-2-en-1-one

Formula:C13H9O2Br Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-1-(4-bromophenyl)-3-(furan-2-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(4-bromophenyl)-3-(furan-2-yl)prop-2-en-1-one
MolecularFormula	C13H9O2Br
Smiles	O=C(/C=C/c1ccco1)c(cc1)ccc1Br
InChI	InChI=1S/C13H9BrO2/c14-11-5-3-10(4-6-11)13(15)8-7-12-2-1-9-16-12/h1-9H
InChIK	HMVCKSXANOKQAS-UHFFFAOYSA-N
TotalMolweight	277.116
Molweight	277.116
MonoisotopicMass	275.978591
CLogP	3.2177
CLogS	-4.356
H Acceptors	2
TotalSurfaceArea	185.59
Relative PSA	0.14629
PolarSurfaceArea	30.21
Druglikeness	-1.5081
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6875
Fragments	1
Non HAtoms	16
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Symmetricatoms	2
StereoCon

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