SMILES:
CC(C)(C)OC(=O)N1CCC(O)(c2ccc(Br)cc2)C1Molecular Processing
Molecular formula
C15H20BrNO3
Molecular weight
342.23
Exact mass
341.0627
XLogP
3.28
TPSA
49.77
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
80.46
Supplementary Information
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