SMILES:
CCCN(CCC)c1nccc2ccc(C#N)cc12Molecular Processing
Molecular formula
C16H19N3
Molecular weight
253.35
Exact mass
253.1579
XLogP
3.73
TPSA
39.92
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
79.25
Supplementary Information
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