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

Formula:C11H7N2OF3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-(1,3-benzothiazol-2-ylamino)-1,1,1-trifluorobut-3-en-2-one is a drug-like molecule.

MolName	(E)-4-(1,3-benzothiazol-2-ylamino)-1,1,1-trifluorobut-3-en-2-one
MolecularFormula	C11H7N2OF3S
Smiles	O=C(C(F)(F)F)/C=C/Nc1nc(cccc2)c2s1
InChI	InChI=1S/C11H7F3N2OS/c12-11(13,14)9(17)5-6-15-10-16-7-3-1-2-4-8(7)18-10/h1-6H,(H,15,16)
InChIK	NUIGWILOHUTSJS-UHFFFAOYSA-N
TotalMolweight	272.25
Molweight	272.25
MonoisotopicMass	272.023117
CLogP	2.609
CLogS	-4.099
H Acceptors	3
H Donors	1
TotalSurfaceArea	187.73
Relative PSA	0.2974
PolarSurfaceArea	70.23
Druglikeness	-32.063
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61111
Fragments	1
Non HAtoms	18
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	9
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon

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