SMILES:
CCC(=O)N[C@H]1CCc2ccc(Br)cc2[C@H]1Cc1ccccc1Molecular Processing
Molecular formula
C20H22BrNO
Molecular weight
372.31
Exact mass
371.0885
XLogP
4.62
TPSA
29.1
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
97.57
Supplementary Information
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