COCN(c1ccncn1)S(=O)(=O)c1cc(Cl)c(Oc2ccc(Cl)cc2-c2cn(C3CCCCO3)nc2[N+](=O)[O-])cc1F
SMILES: COCN(c1ccncn1)S(=O)(=O)c1cc(Cl)c(Oc2ccc(Cl)cc2-c2cn(C3CCCCO3)nc2[N+](=O)[O-])cc1F

Molecular Processing

Molecular formula
C26H23Cl2FN6O7S
Molecular weight
653.48
Exact mass
652.071
XLogP
5.98
TPSA
151.81
H-bond donors
0
H-bond acceptors
10
Rotatable bonds
10
Heavy atoms
43
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
17
Covalent units
1
Fraction Csp3
0.269
Molar refractivity
153.22

Supplementary Information

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