(Z)-2-anilino-4-(4-fluorophenyl)-4-oxobut-2-enoic acid

Formula:C16H12NO3F Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-2-anilino-4-(4-fluorophenyl)-4-oxobut-2-enoic acid is a drug-like molecule.

MolName	(Z)-2-anilino-4-(4-fluorophenyl)-4-oxobut-2-enoic acid
MolecularFormula	C16H12NO3F
Smiles	OC(/C(/Nc1ccccc1)=C/C(c(cc1)ccc1F)=O)=O
InChI	InChI=1S/C16H12FNO3/c17-12-8-6-11(7-9-12)15(19)10-14(16(20)21)18-13-4-2-1-3-5-13/h1-10,18H,(H,20,21)
InChIK	WCAZSSSWLRJUSJ-UHFFFAOYSA-N
TotalMolweight	285.273
Molweight	285.273
MonoisotopicMass	285.080122
CLogP	2.5076
CLogS	-3.831
H Acceptors	4
H Donors	2
TotalSurfaceArea	217.39
Relative PSA	0.23295
PolarSurfaceArea	66.4
Druglikeness	1.4723
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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