이름: crude title product
SMILES:
COC(=O)C(C(C)C)S(=O)(=O)N(C)c1nc(OC)cc(OC)n1Molecular Processing
Molecular formula
C13H21N3O6S
Molecular weight
347.39
Exact mass
347.1151
XLogP
0.46
TPSA
107.92
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
23
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
83.1
Supplementary Information
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