SMILES:
Brc1cccc(Nc2ncnc3ccncc23)c1Molecular Processing
Molecular formula
C13H9BrN4
Molecular weight
301.15
Exact mass
300.0011
XLogP
3.53
TPSA
50.7
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
3
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
74.76
Supplementary Information
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