N'-(1,3-benzothiazol-2-yl)-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)ethanimidamide

Formula:C13H6N3OF9S Mutagenic:none Tumorigenic:none Reproductive Effective:none N'-(1,3-benzothiazol-2-yl)-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)ethanimidamide is a drug-like molecule.

MolName	N'-(1,3-benzothiazol-2-yl)-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)ethanimidamide
MolecularFormula	C13H6N3OF9S
Smiles	N/C(/C(C(C(C1(F)F)(F)F)(OC1(F)F)F)(F)F)=N/c1nc(cccc2)c2s1
InChI	InChI=1S/C13H6F9N3OS/c14-9(15,12(20)10(16,17)11(18,19)13(21,22)26-12)7(23)25-8-24-5-3-1-2-4-6(5)27-8/h1-4H,(H2,23,24,25)/t12-/m1/s1
InChIK	HMRUAXFVILDHKG-GFCCVEGCSA-N
TotalMolweight	423.259
Molweight	423.259
MonoisotopicMass	423.008784
CLogP	4.074
CLogS	-5.649
H Acceptors	4
H Donors	1
TotalSurfaceArea	239.75
Relative PSA	0.28409
PolarSurfaceArea	88.74
Druglikeness	-45.415
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.44444
Fragments	1
Non HAtoms	27
NonCHAtoms	14
Electronegative Atoms	14
StereoCenters	1
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	9
Sp3Atoms	6
Symmetricatoms	4
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon	racemate

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1 - N'-(1,3-benzothiazol-2-yl)-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)ethanimidamide | 2 - N'-(1,3-benzothiazol-2-yl)-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)ethanimidamide

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