SMILES:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C(=O)CBr)CCC12Molecular Processing
Molecular formula
C21H33BrO2
Molecular weight
397.4
Exact mass
396.1664
XLogP
4.97
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
24
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
8
Undefined stereo
8
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.952
Molar refractivity
100.02
Supplementary Information
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