Name: 3-(Imidazol-1-yl)-7-nitro-4H-1,2,4-benzothiadiazine 1,1-dioxide imidazolium salt
SMILES:
O=[N+]([O-])c1ccc2c(c1)S(=O)(=O)N=C(n1ccnc1)N2.c1c[nH+]c[nH]1Molecular Processing
Molecular formula
C13H12N7O4S+
Molecular weight
362.35
Exact mass
362.0666
XLogP
0.64
TPSA
149.42
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
1
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
1
Heteroatoms
12
Covalent units
2
Fraction Csp3
0
Molar refractivity
86.31
Supplementary Information
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