SMILES:
CN1CCC(=C2c3cc(C#N)ccc3C=Cn3cccc32)CC1Molecular Processing
Molecular formula
C20H19N3
Molecular weight
301.39
Exact mass
301.1579
XLogP
3.83
TPSA
31.96
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
23
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
93.57
Supplementary Information
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