2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-5-nitro-1,3-benzothiazole

Formula:C17H12N2O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-5-nitro-1,3-benzothiazole is a drug-like molecule.

MolName	2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-5-nitro-1,3-benzothiazole
MolecularFormula	C17H12N2O4S
Smiles	[O-][N+](c(cc1)cc2c1sc(/C=C/c(cc1)cc3c1OCCO3)n2)=O
InChI	InChI=1S/C17H12N2O4S/c20-19(21)12-3-5-16-13(10-12)18-17(24-16)6-2-11-1-4-14-15(9-11)23-8-7-22-14/h1-6,9-10H,7-8H2
InChIK	DFBDDBKCDGAZDB-UHFFFAOYSA-N
TotalMolweight	340.358
Molweight	340.358
MonoisotopicMass	340.051778
CLogP	2.931
CLogS	-4.658
H Acceptors	6
TotalSurfaceArea	246.51
Relative PSA	0.33163
PolarSurfaceArea	105.41
Druglikeness	-11.419
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	5
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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1 - 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-5-nitro-1,3-benzothiazole | 2 - 2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-5-nitro-1,3-benzothiazole

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