이름: 2-amino-6-(2-ethylbutoxy)benzonitrile
SMILES:
CCC(CC)COc1cccc(N)c1C#NMolecular Processing
Molecular formula
C13H18N2O
Molecular weight
218.3
Exact mass
218.1419
XLogP
2.96
TPSA
59.04
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
16
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
0.462
Molar refractivity
65.14
Supplementary Information
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