O=[N+]([O-])c1cc(Br)cc2nn(C3CCCCO3)cc12
SMILES: O=[N+]([O-])c1cc(Br)cc2nn(C3CCCCO3)cc12

Molecular Processing

Molecular formula
C12H12BrN3O3
Molecular weight
326.15
Exact mass
325.0062
XLogP
3.41
TPSA
70.19
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
72.93

Supplementary Information

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