이름: Compound 105
SMILES:
COC(=O)[C@@H]1CSC(c2ccc(OC(C)=O)c(OC(C)=O)c2)N1Molecular Processing
Molecular formula
C15H17NO6S
Molecular weight
339.37
Exact mass
339.0777
XLogP
1.41
TPSA
90.93
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
83.2
Supplementary Information
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