SMILES:
COC(=O)c1cc(-c2ccc(C)cc2)cc(-n2nnnc2C)c1Molecular Processing
Molecular formula
C17H16N4O2
Molecular weight
308.34
Exact mass
308.1273
XLogP
2.73
TPSA
69.9
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
23
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
0.176
Molar refractivity
85.4
Supplementary Information
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