SMILES:
CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)c1cccc(S(=O)(=O)Nc2cccc3c(N)c(O)ccc23)c1Molecular Processing
Molecular formula
C53H87N3O4S
Molecular weight
862.36
Exact mass
861.6417
XLogP
15.89
TPSA
112.73
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
38
Heavy atoms
61
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
0.679
Molar refractivity
262.27
Supplementary Information
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