SMILES:
CCCCCCNc1ccc(C#N)cc1Molecular Processing
Molecular formula
C13H18N2
Molecular weight
202.3
Exact mass
202.147
XLogP
3.55
TPSA
35.82
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
15
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
0.462
Molar refractivity
63.79
Supplementary Information
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