SMILES:
CC(C)(C)OC(=O)n1nc(-c2ccc(O)cc2)c(C#N)c1NMolecular Processing
Molecular formula
C15H16N4O3
Molecular weight
300.32
Exact mass
300.1222
XLogP
2.49
TPSA
114.16
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
1
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
80.09
Supplementary Information
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