SMILES:
CNn1c(C)nc(N2CCc3ccccc3CC2)c(C#N)c1=OMolecular Processing
Molecular formula
C17H19N5O
Molecular weight
309.37
Exact mass
309.159
XLogP
1.2
TPSA
73.95
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.353
Molar refractivity
89.3
Supplementary Information
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