SMILES:
Brc1ccc(CCNc2ncnc3nccnc23)cc1Molecular Processing
Molecular formula
C14H12BrN5
Molecular weight
330.19
Exact mass
329.0276
XLogP
2.84
TPSA
63.59
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
20
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
81.46
Supplementary Information
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