Nombre: 4-(adamantan-1-ylmethoxy)-3-(1-hydroxycyclobutyl)-benzonitrile
SMILES:
N#Cc1ccc(OCC23CC4CC(CC(C4)C2)C3)c(C2(O)CCC2)c1Molecular Processing
Molecular formula
C22H27NO2
Molecular weight
337.46
Exact mass
337.2042
XLogP
4.52
TPSA
53.25
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
25
Rings
6
Aromatic rings
1
Saturated rings
5
Aliphatic rings
5
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.682
Molar refractivity
95
Supplementary Information
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