(E)-1,1,1-trifluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)but-3-en-2-one

Formula:C12H13N4OF3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1,1,1-trifluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)but-3-en-2-one is a drug-like molecule.

MolName	(E)-1,1,1-trifluoro-4-(4-pyrimidin-2-ylpiperazin-1-yl)but-3-en-2-one
MolecularFormula	C12H13N4OF3
Smiles	O=C(C(F)(F)F)/C=C/N(CC1)CCN1c1ncccn1
InChI	InChI=1S/C12H13F3N4O/c13-12(14,15)10(20)2-5-18-6-8-19(9-7-18)11-16-3-1-4-17-11/h1-5H,6-9H2
InChIK	NBDLKLHBYLZKDJ-UHFFFAOYSA-N
TotalMolweight	286.256
Molweight	286.256
MonoisotopicMass	286.104145
CLogP	0.7443
CLogS	-1.944
H Acceptors	5
TotalSurfaceArea	206.63
Relative PSA	0.20365
PolarSurfaceArea	49.33
Druglikeness	-28.059
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65
Fragments	1
Non HAtoms	20
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	5
Symmetricatoms	6
Aromatic Nitrogens	2
StereoCon

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