SMILES:
O=C(O)C(Br)C12CC3CC(CC(C3)C1)C2Molecular Processing
Molecular formula
C12H17BrO2
Molecular weight
273.17
Exact mass
272.0412
XLogP
3.05
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
15
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.917
Molar refractivity
60.96
Supplementary Information
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