SMILES:
CCOC(=O)c1cn2c(Br)ccc2cn1Molecular Processing
Molecular formula
C10H9BrN2O2
Molecular weight
269.1
Exact mass
267.9847
XLogP
2.27
TPSA
43.6
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
58.85
Supplementary Information
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