SMILES:
Nc1cc(Br)cnc1NMolecular Processing
Molecular formula
C5H6BrN3
Molecular weight
188.03
Exact mass
186.9745
XLogP
1.01
TPSA
64.93
H-bond donors
2
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
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
40.76
Supplementary Information
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