Name: ethyl 2-fluoro-3-hydroxy-3-(4′-propyl-[1,1′-bi(cyclohexane)]-4-yl)propan oate
SMILES:
CCCC1CCC(C2CCC(C(O)C(F)C(=O)OCC)CC2)CC1Molecular Processing
Molecular formula
C20H35FO3
Molecular weight
342.5
Exact mass
342.257
XLogP
4.66
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
24
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.95
Molar refractivity
93.34
Supplementary Information
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