2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-benzothiazole

Formula:C16H11NO2S Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-benzothiazole is a drug-like molecule.

MolName	2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-benzothiazole
MolecularFormula	C16H11NO2S
Smiles	C1Oc(cc(/C=C/c2nc(cccc3)c3s2)cc2)c2O1
InChI	InChI=1S/C16H11NO2S/c1-2-4-15-12(3-1)17-16(20-15)8-6-11-5-7-13-14(9-11)19-10-18-13/h1-9H,10H2
InChIK	OTAXHLWMNNFRKM-UHFFFAOYSA-N
TotalMolweight	281.334
Molweight	281.334
MonoisotopicMass	281.051049
CLogP	3.9852
CLogS	-4.727
H Acceptors	3
TotalSurfaceArea	209.08
Relative PSA	0.2455
PolarSurfaceArea	59.59
Druglikeness	0.72746
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	3
Aromatic Nitrogens	1
StereoCon

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