SMILES:
CC12C=CC(=O)C=C1C(Br)CC1C2CCC2(C)C(=O)CCC12Molecular Processing
Molecular formula
C19H23BrO2
Molecular weight
363.3
Exact mass
362.0881
XLogP
4.24
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
22
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.684
Molar refractivity
89.72
Supplementary Information
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