CC(C)(ON=C(C(=O)NC1C(=O)N2C1CSC1CC(=O)OC12C(=O)[O-])c1csc(N)n1)C(=O)OCc1ccc([N+](=O)[O-])cc1
SMILES: CC(C)(ON=C(C(=O)NC1C(=O)N2C1CSC1CC(=O)OC12C(=O)[O-])c1csc(N)n1)C(=O)OCc1ccc([N+](=O)[O-])cc1

Molecular Processing

Molecular formula
C25H23N6O11S2-
Molecular weight
647.62
Exact mass
647.0872
XLogP
-0.92
TPSA
245.78
H-bond donors
2
H-bond acceptors
16
Rotatable bonds
10
Heavy atoms
44
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
-1
Heteroatoms
19
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
148.38

Supplementary Information

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