(E)-4-(2,4-difluoroanilino)-1,1,1-trifluorobut-3-en-2-one

Formula:C10H6NOF5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-(2,4-difluoroanilino)-1,1,1-trifluorobut-3-en-2-one is a drug-like molecule.

MolName	(E)-4-(2,4-difluoroanilino)-1,1,1-trifluorobut-3-en-2-one
MolecularFormula	C10H6NOF5
Smiles	O=C(C(F)(F)F)/C=C/Nc(ccc(F)c1)c1F
InChI	InChI=1S/C10H6F5NO/c11-6-1-2-8(7(12)5-6)16-4-3-9(17)10(13,14)15/h1-5,16H
InChIK	IGTOXEOKGNMXHE-UHFFFAOYSA-N
TotalMolweight	251.154
Molweight	251.154
MonoisotopicMass	251.036954
CLogP	2.0082
CLogS	-3.76
H Acceptors	2
H Donors	1
TotalSurfaceArea	171.13
Relative PSA	0.14317
PolarSurfaceArea	29.1
Druglikeness	-32.675
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64706
Fragments	1
Non HAtoms	17
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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