Nombre: 2-amino-6-(heptan-4-yloxy)benzonitrile
SMILES:
CCCC(CCC)Oc1cccc(N)c1C#NMolecular Processing
Molecular formula
C14H20N2O
Molecular weight
232.33
Exact mass
232.1576
XLogP
3.49
TPSA
59.04
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
69.8
Supplementary Information
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