Name: 4-(2,3-dihydro-thieno[3,4-b][1,4]dioxin-2-ylmethoxy)-butane-1-sulphonic acid sodium salt
SMILES:
O=S(=O)([O-])CCCCOCC1COc2cscc2O1.[Na+]Molecular Processing
Molecular formula
C11H15NaO6S2
Molecular weight
330.36
Exact mass
330.0208
XLogP
-1.77
TPSA
84.89
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.636
Molar refractivity
68.85
Supplementary Information
Details werden geladen…
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