CC(=O)C1CCC2C3CCC4CC(O)C(Br)CC4(C)C3CCC12C
SMILES: CC(=O)C1CCC2C3CCC4CC(O)C(Br)CC4(C)C3CCC12C

Molecular 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
1
Heavy atoms
24
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
9
Undefined stereo
9
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.952
Molar refractivity
100

Supplementary Information

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