Nombre: 1-dimethylamino-4-[1-(1-ethoxy-ethoxy)-2-phenylethyl]cyclohexanecarbonitrile
SMILES:
CCOC(C)OC(Cc1ccccc1)C1CCC(C#N)(N(C)C)CC1Molecular Processing
Molecular formula
C21H32N2O2
Molecular weight
344.5
Exact mass
344.2464
XLogP
4.01
TPSA
45.49
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
100.1
Supplementary Information
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