SMILES:
Clc1c(Br)cnc2[nH]ccc12Molecular Processing
Molecular formula
C7H4BrClN2
Molecular weight
231.48
Exact mass
229.9246
XLogP
2.98
TPSA
28.68
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
11
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
48.8
Supplementary Information
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