SMILES:
C#CCC1CCC2C(C=CC3=CCCc4c3n2c2ccncc42)C1Molecular Processing
Molecular formula
C22H22N2
Molecular weight
314.43
Exact mass
314.1783
XLogP
4.92
TPSA
17.82
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
24
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
98.49
Supplementary Information
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