SMILES:
CC(C)OC(=O)OCOC(=O)C(OCc1ccccc1)C(C)(C)COS(=O)(=O)CCCN=[N+]=[N-]Molecular Processing
Molecular formula
C21H31N3O9S
Molecular weight
501.56
Exact mass
501.1781
XLogP
3.71
TPSA
163.19
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
15
Heavy atoms
34
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.619
Molar refractivity
120.83
Supplementary Information
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