(E)-3-(5-bromofuran-2-yl)-N-(2,4-difluorophenyl)prop-2-enamide

Formula:C13H8NO2BrF2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-(5-bromofuran-2-yl)-N-(2,4-difluorophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(5-bromofuran-2-yl)-N-(2,4-difluorophenyl)prop-2-enamide
MolecularFormula	C13H8NO2BrF2
Smiles	O=C(/C=C/c(o1)ccc1Br)Nc(ccc(F)c1)c1F
InChI	InChI=1S/C13H8BrF2NO2/c14-12-5-2-9(19-12)3-6-13(18)17-11-4-1-8(15)7-10(11)16/h1-7H,(H,17,18)
InChIK	PXCQMRDWNUXPLI-UHFFFAOYSA-N
TotalMolweight	328.112
Molweight	328.112
MonoisotopicMass	326.970646
CLogP	3.3492
CLogS	-4.405
H Acceptors	3
H Donors	1
TotalSurfaceArea	209.75
Relative PSA	0.18408
PolarSurfaceArea	42.24
Druglikeness	-3.6064
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.68421
Fragments	1
Non HAtoms	19
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Amides	1
StereoCon

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