SMILES:
Cc1cc(Br)cc2nnc(N)nc12Molecular Processing
Molecular formula
C8H7BrN4
Molecular weight
239.08
Exact mass
237.9854
XLogP
1.68
TPSA
64.69
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
13
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
54.18
Supplementary Information
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