SMILES:
CCOc1nc(NC(C)=O)cc(N)c1C#NMolecular Processing
Molecular formula
C10H12N4O2
Molecular weight
220.23
Exact mass
220.096
XLogP
0.89
TPSA
101.03
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
58.84
Supplementary Information
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