(Z)-3-bromo-1,1,1-trifluoro-4-(pyridin-3-ylmethylamino)but-3-en-2-one

Formula:C10H8N2OBrF3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-3-bromo-1,1,1-trifluoro-4-(pyridin-3-ylmethylamino)but-3-en-2-one is a drug-like molecule.

MolName	(Z)-3-bromo-1,1,1-trifluoro-4-(pyridin-3-ylmethylamino)but-3-en-2-one
MolecularFormula	C10H8N2OBrF3
Smiles	O=C(C(F)(F)F)/C(/Br)=C/NCc1cnccc1
InChI	InChI=1S/C10H8BrF3N2O/c11-8(9(17)10(12,13)14)6-16-5-7-2-1-3-15-4-7/h1-4,6,16H,5H2
InChIK	XXXKZBBJCZKVHO-UHFFFAOYSA-N
TotalMolweight	309.085
Molweight	309.085
MonoisotopicMass	307.977208
CLogP	1.1077
CLogS	-2.986
H Acceptors	3
H Donors	1
TotalSurfaceArea	187.79
Relative PSA	0.18888
PolarSurfaceArea	41.99
Druglikeness	-40.44
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	2-halo-enone
Shape Index	0.64706
Fragments	1
Non HAtoms	17
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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