(E)-4,4,4-trifluoro-1-morpholin-4-yl-3-pyrrolidin-1-ylbut-2-en-1-one

Formula:C12H17N2O2F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4,4,4-trifluoro-1-morpholin-4-yl-3-pyrrolidin-1-ylbut-2-en-1-one is a drug-like molecule.

MolName	(E)-4,4,4-trifluoro-1-morpholin-4-yl-3-pyrrolidin-1-ylbut-2-en-1-one
MolecularFormula	C12H17N2O2F3
Smiles	O=C(/C=C(\C(F)(F)F)/N1CCCC1)N1CCOCC1
InChI	InChI=1S/C12H17F3N2O2/c13-12(14,15)10(16-3-1-2-4-16)9-11(18)17-5-7-19-8-6-17/h9H,1-8H2
InChIK	VWMAOKUOPYIKOH-UHFFFAOYSA-N
TotalMolweight	278.273
Molweight	278.273
MonoisotopicMass	278.124212
CLogP	1.8755
CLogS	-1.455
H Acceptors	4
TotalSurfaceArea	199.1
Relative PSA	0.15138
PolarSurfaceArea	32.78
Druglikeness	-5.0505
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52632
Fragments	1
Non HAtoms	19
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Sp3Atoms	10
Symmetricatoms	6
Amides	1
StereoCon

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