SMILES:
CCCc1c(CO)cnc2nc(N)nc(N)c12Molecular Processing
Molecular formula
C11H15N5O
Molecular weight
233.27
Exact mass
233.1277
XLogP
0.63
TPSA
110.94
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
17
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
0.364
Molar refractivity
66.08
Supplementary Information
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