Name: ethyl 2-[(2′-cyano-2-methylbiphenyl-4-yl)methyl]-3-oxohexanoate
SMILES:
CCCC(=O)C(Cc1ccc(-c2ccccc2C#N)c(C)c1)C(=O)OCCMolecular Processing
Molecular formula
C23H25NO3
Molecular weight
363.46
Exact mass
363.1834
XLogP
4.62
TPSA
67.16
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
27
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
105.07
Supplementary Information
Details werden geladen…
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