Name: 3-(2′,4′-dichloro-4-ethylbiphen-3-yl)-bicyclo[3.2.1]octane-2,4-dione
SMILES:
CCc1ccc(-c2ccc(Cl)cc2Cl)cc1C1C(=O)C2CCC(C2)C1=OMolecular Processing
Molecular formula
C22H20Cl2O2
Molecular weight
387.31
Exact mass
386.084
XLogP
5.87
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
26
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
104.86
Supplementary Information
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