SMILES:
COc1cc(C(C)C)c(C=O)cc1BrMolecular Processing
Molecular formula
C11H13BrO2
Molecular weight
257.13
Exact mass
256.0099
XLogP
3.39
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
60.17
Supplementary Information
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