SMILES:
COc1cc(OCCN2CCOCC2)c(/C=C/C(=O)c2ccc(S(N)(=O)=O)cc2)cc1-c1cccs1.ClMolecular Processing
Molecular formula
C26H29ClN2O6S2
Molecular weight
565.11
Exact mass
564.1156
XLogP
4.1
TPSA
108.16
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
10
Heavy atoms
37
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.269
Molar refractivity
147.49
Supplementary Information
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