SMILES:
COc1cc(-c2ncoc2C)cc(OC)c1BrMolecular Processing
Molecular formula
C12H12BrNO3
Molecular weight
298.14
Exact mass
297.0001
XLogP
3.43
TPSA
44.49
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
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
0.25
Molar refractivity
67.48
Supplementary Information
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