C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1c(=O)sc2c(=O)[nH]c(N)nc21
SMILES: C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1c(=O)sc2c(=O)[nH]c(N)nc21

Molecular Processing

Molecular formula
C11H14N4O6S
Molecular weight
330.32
Exact mass
330.0634
XLogP
-2.27
TPSA
163.69
H-bond donors
5
H-bond acceptors
9
Rotatable bonds
2
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
76.54

Supplementary Information

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