SMILES:
COc1ccncc1-c1cncc(O[C@@H]2SC[C@@H](O)[C@H](O)[C@H]2O)c1Molecular Processing
Molecular formula
C16H18N2O5S
Molecular weight
350.4
Exact mass
350.0936
XLogP
0.69
TPSA
104.93
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
88.91
Supplementary Information
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