SMILES:
CCN(CC)Cc1ccc(C#N)cc1Molecular Processing
Molecular formula
C12H16N2
Molecular weight
188.27
Exact mass
188.1313
XLogP
2.4
TPSA
27.03
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
14
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
0.417
Molar refractivity
57.78
Supplementary Information
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