名称: 1-(2-[(3S)-3-(methylamino)piperidin-1-yl]-1-[3-(trifluoromethoxy)phenyl]ethyl}cyclohexanol dihydrochloride
SMILES:
CN[C@H]1CCCN(CC(c2cccc(OC(F)(F)F)c2)C2(O)CCCCC2)C1.Cl.ClMolecular Processing
Molecular formula
C21H33Cl2F3N2O2
Molecular weight
473.41
Exact mass
472.1871
XLogP
4.89
TPSA
44.73
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
30
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
3
Fraction Csp3
0.714
Molar refractivity
116.92
Supplementary Information
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