이름: 1-[1-(2′-fluoro-1,1′-biphenyl-3-yl)-2-piperazin-1-ylethyl]cyclohexanol dihydrochloride
SMILES:
Cl.Cl.OC1(C(CN2CCNCC2)c2cccc(-c3ccccc3F)c2)CCCCC1Molecular Processing
Molecular formula
C24H33Cl2FN2O
Molecular weight
455.45
Exact mass
454.1954
XLogP
5.02
TPSA
35.5
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
3
Fraction Csp3
0.5
Molar refractivity
126.42
Supplementary Information
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