(E)-3-(2-chloro-6-fluorophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide

Formula:C16H9N3O3ClFS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2-chloro-6-fluorophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(2-chloro-6-fluorophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide
MolecularFormula	C16H9N3O3ClFS
Smiles	[O-][N+](c(cc1)cc2c1nc(NC(/C=C/c(c(F)ccc1)c1Cl)=O)s2)=O
InChI	InChI=1S/C16H9ClFN3O3S/c17-11-2-1-3-12(18)10(11)5-7-15(22)20-16-19-13-6-4-9(21(23)24)8-14(13)25-16/h1-8H,(H,19,20,22)
InChIK	FDQUHQMIOZJDAT-UHFFFAOYSA-N
TotalMolweight	377.782
Molweight	377.782
MonoisotopicMass	377.003717
CLogP	3.7239
CLogS	-5.975
H Acceptors	6
H Donors	1
TotalSurfaceArea	263.47
Relative PSA	0.32736
PolarSurfaceArea	116.05
Druglikeness	-6.1596
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	1
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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