SMILES:
CC12CCC3c4ccc(OCc5ccccc5)cc4CCC3C1C(C#N)CC2=OMolecular Processing
Molecular formula
C26H27NO2
Molecular weight
385.51
Exact mass
385.2042
XLogP
5.44
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
29
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
111.33
Supplementary Information
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