名称: (1RS,2SR,6RS,7SR)-4-(3,5-dimethylbiphenyl-4-yl)-10-oxa-tricyclo-[5.2.1.02,6]decane-3,5-dione
SMILES:
Cc1cc(-c2ccccc2)cc(C)c1C1C(=O)C2C3CCC(O3)C2C1=OMolecular Processing
Molecular formula
C23H22O3
Molecular weight
346.43
Exact mass
346.1569
XLogP
4
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
26
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
98.98
Supplementary Information
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