Name: Compound 75
SMILES:
N#CC1=Nc2nc(C3CCCC3)[nH]c2C2=N[C@H](Cc3ccccc3)CN12Molecular Processing
Molecular formula
C20H20N6
Molecular weight
344.42
Exact mass
344.1749
XLogP
3.31
TPSA
80.43
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
26
Rings
5
Aromatic rings
2
Saturated rings
1
Aliphatic rings
3
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
99.68
Supplementary Information
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