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

Formula:C10H9N2OF3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1,1,1-trifluoro-4-(pyridin-3-ylmethylamino)but-3-en-2-one is a drug-like molecule.

MolName	(E)-1,1,1-trifluoro-4-(pyridin-3-ylmethylamino)but-3-en-2-one
MolecularFormula	C10H9N2OF3
Smiles	O=C(C(F)(F)F)/C=C/NCc1cnccc1
InChI	InChI=1S/C10H9F3N2O/c11-10(12,13)9(16)3-5-15-7-8-2-1-4-14-6-8/h1-6,15H,7H2
InChIK	BEBGZYYDZQERJW-UHFFFAOYSA-N
TotalMolweight	230.188
Molweight	230.188
MonoisotopicMass	230.066697
CLogP	0.5151
CLogS	-2.153
H Acceptors	3
H Donors	1
TotalSurfaceArea	170.95
Relative PSA	0.20749
PolarSurfaceArea	41.99
Druglikeness	-32.15
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6875
Fragments	1
Non HAtoms	16
NonCHAtoms	6
Electronegative Atoms	6
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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