2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-6-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]-6-nitro-1,3-benzothiazole is a drug-like molecule.

MolName	2-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]-6-nitro-1,3-benzothiazole
MolecularFormula	C17H12N2O4S
Smiles	[O-][N+](c(cc1)cc2c1nc(/C=C/c(cc1)cc3c1OCCO3)s2)=O
InChI	InChI=1S/C17H12N2O4S/c20-19(21)12-3-4-13-16(10-12)24-17(18-13)6-2-11-1-5-14-15(9-11)23-8-7-22-14/h1-6,9-10H,7-8H2
InChIK	AMMURBWMTLSYOI-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

Click to Load Molecule:

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

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

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments