SMILES:
Cc1cc(C)c(C=CC2OCC(C)(C)CO2)c(Br)c1Molecular Processing
Molecular formula
C16H21BrO2
Molecular weight
325.25
Exact mass
324.0725
XLogP
4.48
TPSA
18.46
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
82.12
Supplementary Information
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