SMILES:
COc1ccc(CNC(C(=O)O[C@H]2C[N+]3(CC(=O)c4cccs4)CCC2CC3)c2ccccc2)cc1.COc1ccc(CNC(C(=O)O[C@H]2C[N+]3(CC(=O)c4cccs4)CCC2CC3)c2ccccc2)cc1.O=C[O-].O=C[O-]Molecular Processing
Molecular formula
C60H68N4O12S2
Molecular weight
1101.35
Exact mass
1100.4275
XLogP
5.98
TPSA
209.52
H-bond donors
2
H-bond acceptors
16
Rotatable bonds
20
Heavy atoms
78
Rings
12
Aromatic rings
6
Saturated rings
6
Aliphatic rings
6
Stereo centers
4
Undefined stereo
2
Formal charge
0
Heteroatoms
18
Covalent units
4
Fraction Csp3
0.367
Molar refractivity
292.13
Supplementary Information
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