C#Cc1c[nH]c2nc(NC(=O)C(C)(C)C)nc(O)c12
SMILES: C#Cc1c[nH]c2nc(NC(=O)C(C)(C)C)nc(O)c12

Molecular Processing

Molecular formula
C13H14N4O2
Molecular weight
258.28
Exact mass
258.1117
XLogP
1.63
TPSA
90.9
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
71.57

Supplementary Information

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