Nombre: 5-(3-hydroxy-1-hexynyl)-2,3,4-trifluoro-1-[trans-4-(trans-4-propylcyclohexyl) cyclohexyl]benzene
SMILES:
CCCC(O)C#Cc1cc([C@H]2CC[C@H]([C@H]3CC[C@H](CCC)CC3)CC2)c(F)c(F)c1FMolecular Processing
Molecular formula
C27H37F3O
Molecular weight
434.59
Exact mass
434.2797
XLogP
7.5
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
6
Heavy atoms
31
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.704
Molar refractivity
119.16
Supplementary Information
Obteniendo detalles…
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