SMILES:
Cc1nc2c([N+](=O)[O-])cc(Br)cc2[nH]1Molecular Processing
Molecular formula
C8H6BrN3O2
Molecular weight
256.06
Exact mass
254.9643
XLogP
2.54
TPSA
71.82
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
55.19
Supplementary Information
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