Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)C(NC(=O)Cc3cnc(NS(C)(=O)=O)s3)[C@H]2SC1
SMILES: Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)C(NC(=O)Cc3cnc(NS(C)(=O)=O)s3)[C@H]2SC1

Molecular Processing

Molecular formula
C16H18N8O6S4
Molecular weight
546.64
Exact mass
546.0232
XLogP
-0.89
TPSA
189.37
H-bond donors
3
H-bond acceptors
12
Rotatable bonds
9
Heavy atoms
34
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
18
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
123.49

Supplementary Information

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