Nom: 3-(3′-Benzyl-2-isobutyl-4′-methoxy-1,1′-biphenyl-4-yl)propanenitrile
SMILES:
COc1ccc(-c2ccc(CCC#N)cc2CC(C)C)cc1Cc1ccccc1Molecular Processing
Molecular formula
C27H29NO
Molecular weight
383.54
Exact mass
383.2249
XLogP
6.61
TPSA
33.02
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
8
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.296
Molar refractivity
120.15
Supplementary Information
Récupération des détails…
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