SMILES:
Cn1nc(-c2ccccc2)cc1C#CCCCc1ccccc1Molecular Processing
Molecular formula
C21H20N2
Molecular weight
300.4
Exact mass
300.1626
XLogP
4.46
TPSA
17.82
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
94.9
Supplementary Information
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