SMILES:
O=C1C[C@H]2CCC[C@H]2N1c1ccc(C#Cc2ccccc2)cn1Molecular Processing
Molecular formula
C20H18N2O
Molecular weight
302.38
Exact mass
302.1419
XLogP
3.39
TPSA
33.2
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
23
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
89.89
Supplementary Information
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