SMILES:
O=c1ccc2c(Br)nccc2[nH]1Molecular Processing
Molecular formula
C8H5BrN2O
Molecular weight
225.05
Exact mass
223.9585
XLogP
1.69
TPSA
45.75
H-bond donors
1
H-bond acceptors
2
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
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
50.06
Supplementary Information
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