SMILES:
CCCCOc1nc(NC(C)=O)cc(N)c1C#NMolecular Processing
Molecular formula
C12H16N4O2
Molecular weight
248.29
Exact mass
248.1273
XLogP
1.67
TPSA
101.03
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
18
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
0.417
Molar refractivity
68.07
Supplementary Information
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