SMILES:
Nc1nc(Cl)ncc1BrMolecular Processing
Molecular formula
C4H3BrClN3
Molecular weight
208.45
Exact mass
206.9199
XLogP
1.47
TPSA
51.8
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
39.15
Supplementary Information
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