SMILES:
CCOc1ccc(-c2nc(-c3ccc(OCOC)c(C(=O)O)c3)cs2)cc1OCCMolecular Processing
Molecular formula
C22H23NO6S
Molecular weight
429.49
Exact mass
429.1246
XLogP
4.96
TPSA
87.11
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
114.79
Supplementary Information
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