الاسم: 3-(2-Isobutyl-4′-methoxy-3′-naphthalen-1-ylmethyl-biphenyl-4-yl)propionitrile
SMILES:
COc1ccc(-c2ccc(CCC#N)cc2CC(C)C)cc1Cc1cccc2ccccc12Molecular Processing
Molecular formula
C31H31NO
Molecular weight
433.6
Exact mass
433.2406
XLogP
7.76
TPSA
33.02
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
8
Heavy atoms
33
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.258
Molar refractivity
137.66
Supplementary Information
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