O=[N+]([O-])c1ccc(Br)c2nonc12
Название: compound 422A
SMILES: O=[N+]([O-])c1ccc(Br)c2nonc12

Molecular Processing

Molecular formula
C6H2BrN3O3
Molecular weight
244
Exact mass
242.928
XLogP
1.89
TPSA
82.06
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0
Molar refractivity
46.16

Supplementary Information

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