Name: 2-piperazin-1-yl-1-(4-{[2-(trifluoromethyl)benzyl]oxy}phenylethyl]cyclohexanol dihydrochloride
SMILES:
Cl.Cl.OC1(CCc2ccc(OCc3ccccc3C(F)(F)F)cc2)CCCCC1N1CCNCC1Molecular Processing
Molecular formula
C26H35Cl2F3N2O2
Molecular weight
535.48
Exact mass
534.2028
XLogP
5.64
TPSA
44.73
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
35
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
3
Fraction Csp3
0.538
Molar refractivity
136.68
Supplementary Information
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