SMILES:
CC1CCC2(C)C(=CCC3C4CC(Br)C(=O)C4(C)CCC32)C1Molecular Processing
Molecular formula
C20H29BrO
Molecular weight
365.36
Exact mass
364.1402
XLogP
5.53
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
22
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
7
Undefined stereo
7
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.85
Molar refractivity
93.97
Supplementary Information
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