SMILES:
CC(=O)OC1CCCC2(C)C(C(C)CC(Cl)CBr)=CCC12Molecular Processing
Molecular formula
C17H26BrClO2
Molecular weight
377.75
Exact mass
376.0805
XLogP
5.08
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
21
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.824
Molar refractivity
90.92
Supplementary Information
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