SMILES:
CCOC(=O)c1ccccc1Oc1cc2nc(-c3ccccn3)[nH]c2cc1Oc1ccc(S(C)(=O)=O)cc1Molecular Processing
Molecular formula
C28H23N3O6S
Molecular weight
529.57
Exact mass
529.1308
XLogP
5.79
TPSA
120.47
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
38
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.107
Molar refractivity
141.42
Supplementary Information
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