Name: title compound
SMILES:
Cn1cc(Br)n2cnnc2c1=OMolecular Processing
Molecular formula
C6H5BrN4O
Molecular weight
229.04
Exact mass
227.9647
XLogP
0.19
TPSA
52.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
12
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
45.93
Supplementary Information
Details werden geladen…
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