(E)-3-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-chlorophenyl)prop-2-en-1-one

Formula:C16H10NOClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-chlorophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-chlorophenyl)prop-2-en-1-one
MolecularFormula	C16H10NOClS2
Smiles	O=C(/C=C/Sc1nc(cccc2)c2s1)c(cc1)ccc1Cl
InChI	InChI=1S/C16H10ClNOS2/c17-12-7-5-11(6-8-12)14(19)9-10-20-16-18-13-3-1-2-4-15(13)21-16/h1-10H
InChIK	LENDLYABEQECQD-UHFFFAOYSA-N
TotalMolweight	331.846
Molweight	331.846
MonoisotopicMass	330.989231
CLogP	4.4582
CLogS	-5.8
H Acceptors	2
TotalSurfaceArea	239.48
Relative PSA	0.25831
PolarSurfaceArea	83.5
Druglikeness	0.96552
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
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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