SMILES:
N=C(NCC(=O)N[C@H]1CCNC1)NC(=O)OCc1ccc([N+](=O)[O-])cc1.O=S(=O)(O)OS(=O)(=O)OMolecular Processing
Molecular formula
C15H22N6O12S2
Molecular weight
542.51
Exact mass
542.0737
XLogP
-1.57
TPSA
276.45
H-bond donors
7
H-bond acceptors
12
Rotatable bonds
8
Heavy atoms
35
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
20
Covalent units
2
Fraction Csp3
0.4
Molar refractivity
115.75
Supplementary Information
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