SMILES:
Nc1cc(N)cc(Nc2ccc(Br)cc2)c1Molecular Processing
Molecular formula
C12H12BrN3
Molecular weight
278.15
Exact mass
277.0215
XLogP
3.36
TPSA
64.07
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
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
72.69
Supplementary Information
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