(E)-3-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-(2-fluorophenyl)prop-2-en-1-one

Formula:C16H9NOClFS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-(2-fluorophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-1-(2-fluorophenyl)prop-2-en-1-one
MolecularFormula	C16H9NOClFS2
Smiles	O=C(/C=C/Sc1nc(cc(cc2)Cl)c2s1)c(cccc1)c1F
InChI	InChI=1S/C16H9ClFNOS2/c17-10-5-6-15-13(9-10)19-16(22-15)21-8-7-14(20)11-3-1-2-4-12(11)18/h1-9H
InChIK	MISKUDLKWBXEQU-UHFFFAOYSA-N
TotalMolweight	349.836
Molweight	349.836
MonoisotopicMass	348.979809
CLogP	4.559
CLogS	-6.114
H Acceptors	2
TotalSurfaceArea	245.83
Relative PSA	0.25164
PolarSurfaceArea	83.5
Druglikeness	-0.37448
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	1
Aromatic Nitrogens	1
StereoCon

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