SMILES:
CC1(C)OC2C(CN)OC(n3cnc4c(N)ncnc43)C2O1Molecular Processing
Molecular formula
C13H18N6O3
Molecular weight
306.33
Exact mass
306.144
XLogP
-0.22
TPSA
123.33
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
2
Heavy atoms
22
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
76.52
Supplementary Information
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