Name: 4-[5-(2-methoxyphenoxy)pentoxy]benzonitrile
SMILES:
COc1ccccc1OCCCCCOc1ccc(C#N)cc1Molecular Processing
Molecular formula
C19H21NO3
Molecular weight
311.38
Exact mass
311.1521
XLogP
4.19
TPSA
51.48
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
88.99
Supplementary Information
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