(E)-4-(1,3-benzothiazol-2-yl)-5-(2,3,4,5,6-pentafluorophenyl)pent-4-enoic acid

Formula:C18H10NO2F5S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-(1,3-benzothiazol-2-yl)-5-(2,3,4,5,6-pentafluorophenyl)pent-4-enoic acid is a drug-like molecule.

MolName	(E)-4-(1,3-benzothiazol-2-yl)-5-(2,3,4,5,6-pentafluorophenyl)pent-4-enoic acid
MolecularFormula	C18H10NO2F5S
Smiles	OC(CC/C(/c1nc(cccc2)c2s1)=C\c(c(F)c(c(F)c1F)F)c1F)=O
InChI	InChI=1S/C18H10F5NO2S/c19-13-9(14(20)16(22)17(23)15(13)21)7-8(5-6-12(25)26)18-24-10-3-1-2-4-11(10)27-18/h1-4,7H,5-6H2,(H,25,26)
InChIK	DJOQIVHEWLGXCZ-UHFFFAOYSA-N
TotalMolweight	399.338
Molweight	399.338
MonoisotopicMass	399.035239
CLogP	4.2307
CLogS	-5.33
H Acceptors	3
H Donors	1
TotalSurfaceArea	270.4
Relative PSA	0.21254
PolarSurfaceArea	78.43
Druglikeness	-0.84034
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polyhalo aromatic ring
Shape Index	0.44444
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	3
Symmetricatoms	4
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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