Name: 1-{2-[(3S)-3-aminopyrrolidin-1-yl]-1-[3-(trifluoromethoxy)phenyl]ethyl}cyclohexanol dihydrochloride
SMILES:
Cl.Cl.N[C@H]1CCN(CC(c2cccc(OC(F)(F)F)c2)C2(O)CCCCC2)C1Molecular Processing
Molecular formula
C19H29Cl2F3N2O2
Molecular weight
445.35
Exact mass
444.1558
XLogP
4.24
TPSA
58.72
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
28
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
0.684
Molar refractivity
107.43
Supplementary Information
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