SMILES:
COC(=O)C1=Cc2cc(O)ccc2S(=O)(=O)CC1Molecular Processing
Molecular formula
C12H12O5S
Molecular weight
268.29
Exact mass
268.0405
XLogP
1.13
TPSA
80.67
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
64.77
Supplementary Information
Details werden geladen…
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