이름: 3-(3,5-dimethylbiphen-4-yl)bicyclo[3.2.1]octane-2,4-dione
SMILES:
Cc1cc(-c2ccccc2)cc(C)c1C1C(=O)C2CCC(C2)C1=OMolecular Processing
Molecular formula
C22H22O2
Molecular weight
318.42
Exact mass
318.162
XLogP
4.62
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
24
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
94.94
Supplementary Information
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