SMILES:
CC(=N)N1CCC(COc2cc(OS(=O)(=O)c3ccccc3Cl)cc3ccccc23)CC1.CC(=O)OMolecular Processing
Molecular formula
C26H29ClN2O6S
Molecular weight
533.05
Exact mass
532.1435
XLogP
5.44
TPSA
116.99
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
2
Fraction Csp3
0.308
Molar refractivity
139.72
Supplementary Information
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