(Z)-4-oxo-4-(2,3,4-trifluoroanilino)but-2-enoic acid

Formula:C10H6NO3F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-4-oxo-4-(2,3,4-trifluoroanilino)but-2-enoic acid is a drug-like molecule.

MolName	(Z)-4-oxo-4-(2,3,4-trifluoroanilino)but-2-enoic acid
MolecularFormula	C10H6NO3F3
Smiles	OC(/C=C\C(Nc(c(F)c1F)ccc1F)=O)=O
InChI	InChI=1S/C10H6F3NO3/c11-5-1-2-6(10(13)9(5)12)14-7(15)3-4-8(16)17/h1-4H,(H,14,15)(H,16,17)
InChIK	VWWCRLCGVZWUCI-UHFFFAOYSA-N
TotalMolweight	245.156
Molweight	245.156
MonoisotopicMass	245.029978
CLogP	1.046
CLogS	-2.687
H Acceptors	4
H Donors	2
TotalSurfaceArea	172.12
Relative PSA	0.29421
PolarSurfaceArea	66.4
Druglikeness	-0.20225
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polyhalo aromatic ring
Shape Index	0.64706
Fragments	1
Non HAtoms	17
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	1
Amides	1
AcidicOxygens	1
StereoCon

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