CON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@H]12)c1ccco1
SMILES: CON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(N)=O)CS[C@H]12)c1ccco1

Molecular Processing

Molecular formula
C16H16N4O8S
Molecular weight
424.39
Exact mass
424.0689
XLogP
-0.54
TPSA
173.76
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
29
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
97.47

Supplementary Information

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