SMILES:
CCCN(CCC)c1cc(C#N)cc(C)n1Molecular Processing
Molecular formula
C13H19N3
Molecular weight
217.32
Exact mass
217.1579
XLogP
2.89
TPSA
39.92
H-bond donors
0
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
0.538
Molar refractivity
66.48
Supplementary Information
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