Nombre: 4-(tetrahydropyran-2-yloxy)benzonitrile
SMILES:
N#Cc1ccc(OC2CCCCO2)cc1Molecular Processing
Molecular formula
C12H13NO2
Molecular weight
203.24
Exact mass
203.0946
XLogP
2.46
TPSA
42.25
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
55.38
Supplementary Information
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