SMILES:
CS(=O)(=O)OC(COCc1ccccc1)C(OCc1ccccc1)C(CN=[N+]=[N-])OCc1ccccc1Molecular Processing
Molecular formula
C27H31N3O6S
Molecular weight
525.63
Exact mass
525.1934
XLogP
5.03
TPSA
119.82
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
16
Heavy atoms
37
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
139.87
Supplementary Information
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