Cc1nc([N+](=O)[O-])c(Br)[nH]1
SMILES: Cc1nc([N+](=O)[O-])c(Br)[nH]1

Molecular Processing

Molecular formula
C4H4BrN3O2
Molecular weight
206
Exact mass
204.9487
XLogP
1.39
TPSA
71.82
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
37.68

Supplementary Information

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