CCCON=C(C(=O)NC1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=CCS[C@H]12)c1csc(N)n1
SMILES: CCCON=C(C(=O)NC1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=CCS[C@H]12)c1csc(N)n1

Molecular Processing

Molecular formula
C22H22N6O7S2
Molecular weight
546.59
Exact mass
546.0991
XLogP
1.79
TPSA
179.35
H-bond donors
2
H-bond acceptors
12
Rotatable bonds
10
Heavy atoms
37
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
135.3

Supplementary Information

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