SMILES:
COCC(O)(CCN[C@@H](C)c1ccc(Br)cc1)c1ccccc1Molecular Processing
Molecular formula
C19H24BrNO2
Molecular weight
378.31
Exact mass
377.099
XLogP
4.02
TPSA
41.49
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
97.39
Supplementary Information
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