SMILES:
CC(CCCC1(C)OC1CCC(=O)CBr)COCc1ccccc1Molecular Processing
Molecular formula
C20H29BrO3
Molecular weight
397.35
Exact mass
396.13
XLogP
4.91
TPSA
38.83
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
12
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.65
Molar refractivity
100.43
Supplementary Information
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