SMILES:
CC(C)N1CCn2c1cc(OCc1cccc(C#N)c1)nc2=OMolecular Processing
Molecular formula
C17H18N4O2
Molecular weight
310.36
Exact mass
310.143
XLogP
1.92
TPSA
71.15
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
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
86.47
Supplementary Information
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