SMILES:
COc1ncccc1-c1ccc(OC2SCC(OC(C)=O)C(OC(C)=O)C2OC(C)=O)cn1Molecular Processing
Molecular formula
C22H24N2O8S
Molecular weight
476.51
Exact mass
476.1253
XLogP
2.4
TPSA
123.14
H-bond donors
0
H-bond acceptors
11
Rotatable bonds
7
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
117.56
Supplementary Information
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