SMILES:
CC(C)(C)OC(=O)c1ccc2[nH]ncc2c1BrMolecular Processing
Molecular formula
C12H13BrN2O2
Molecular weight
297.15
Exact mass
296.016
XLogP
3.28
TPSA
54.98
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
17
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
0.333
Molar refractivity
68.96
Supplementary Information
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