(E)-3-(5-bromofuran-2-yl)-1-pyridin-3-ylprop-2-en-1-one

Formula:C12H8NO2Br Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-(5-bromofuran-2-yl)-1-pyridin-3-ylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(5-bromofuran-2-yl)-1-pyridin-3-ylprop-2-en-1-one
MolecularFormula	C12H8NO2Br
Smiles	O=C(/C=C/c(o1)ccc1Br)c1cnccc1
InChI	InChI=1S/C12H8BrNO2/c13-12-6-4-10(16-12)3-5-11(15)9-2-1-7-14-8-9/h1-8H
InChIK	TWOBSLDNOTVDHC-UHFFFAOYSA-N
TotalMolweight	278.105
Molweight	278.105
MonoisotopicMass	276.97384
CLogP	2.3142
CLogS	-3.324
H Acceptors	3
TotalSurfaceArea	184.35
Relative PSA	0.20678
PolarSurfaceArea	43.1
Druglikeness	-1.4076
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6875
Fragments	1
Non HAtoms	16
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Aromatic Nitrogens	1
StereoCon

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