Name: 4-butoxybenzonitrile
SMILES:
CCCCOc1ccc(C#N)cc1Molecular Processing
Molecular formula
C11H13NO
Molecular weight
175.23
Exact mass
175.0997
XLogP
2.74
TPSA
33.02
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
51.56
Supplementary Information
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