SMILES:
COCCNc1ccc2ncc(-c3ccc(CN)cc3)n2n1Molecular Processing
Molecular formula
C16H19N5O
Molecular weight
297.36
Exact mass
297.159
XLogP
1.91
TPSA
77.47
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
86.68
Supplementary Information
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