SMILES:
O=[N+]([O-])c1ccc(CSc2cc(Cl)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1Molecular Processing
Molecular formula
C18H17ClN4O6S
Molecular weight
452.88
Exact mass
452.0557
XLogP
1.9
TPSA
143.77
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
108.2
Supplementary Information
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