SMILES:
CN1C(C(=O)Nc2ccccn2)=C(S(=O)(=O)c2ccccc2)c2ccccc2S1(=O)=OMolecular Processing
Molecular formula
C21H17N3O5S2
Molecular weight
455.52
Exact mass
455.061
XLogP
2.5
TPSA
113.51
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.048
Molar refractivity
114.81
Supplementary Information
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