(E)-3-(1,3-benzothiazol-2-ylsulfanyl)-1-phenylprop-2-en-1-one

Formula:C16H11NOS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(1,3-benzothiazol-2-ylsulfanyl)-1-phenylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(1,3-benzothiazol-2-ylsulfanyl)-1-phenylprop-2-en-1-one
MolecularFormula	C16H11NOS2
Smiles	O=C(/C=C/Sc1nc(cccc2)c2s1)c1ccccc1
InChI	InChI=1S/C16H11NOS2/c18-14(12-6-2-1-3-7-12)10-11-19-16-17-13-8-4-5-9-15(13)20-16/h1-11H
InChIK	UTYGJGNGNXEFFV-UHFFFAOYSA-N
TotalMolweight	297.401
Molweight	297.401
MonoisotopicMass	297.028204
CLogP	3.8522
CLogS	-5.064
H Acceptors	2
TotalSurfaceArea	224.06
Relative PSA	0.27609
PolarSurfaceArea	83.5
Druglikeness	0.89084
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65
Fragments	1
Non HAtoms	20
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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