SMILES:
COc1cc([C@@H]2SC[C@@H](c3cc(OC)c(OC)c(OC)c3)S2)cc(I)c1OMolecular Processing
Molecular formula
C19H21IO5S2
Molecular weight
520.41
Exact mass
519.9875
XLogP
5.25
TPSA
57.15
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
119
Supplementary Information
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