2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-1,3-benzothiazole

Formula:C17H13NO2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-1,3-benzothiazole is a drug-like molecule.

MolName	2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-1,3-benzothiazole
MolecularFormula	C17H13NO2S
Smiles	C1Oc(ccc(/C=C/c2nc(cccc3)c3s2)c2)c2OC1
InChI	InChI=1S/C17H13NO2S/c1-2-4-16-13(3-1)18-17(21-16)8-6-12-5-7-14-15(11-12)20-10-9-19-14/h1-8,11H,9-10H2
InChIK	WYSBOHMDQCWVFM-UHFFFAOYSA-N
TotalMolweight	295.361
Molweight	295.361
MonoisotopicMass	295.066699
CLogP	3.8526
CLogS	-4.198
H Acceptors	3
TotalSurfaceArea	222.84
Relative PSA	0.23034
PolarSurfaceArea	59.59
Druglikeness	-6.3457
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	4
Aromatic Nitrogens	1
StereoCon

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