SMILES:
CCCCCc1ccc(OCC23CCC(CCC)(CC2)CC3)c(C#N)c1C#NMolecular Processing
Molecular formula
C25H34N2O
Molecular weight
378.56
Exact mass
378.2671
XLogP
6.68
TPSA
56.81
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
9
Heavy atoms
28
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.68
Molar refractivity
112.07
Supplementary Information
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