SMILES:
CC(O)CCCCn1c(=O)c2[nH]cnc2n(C)c1=OMolecular Processing
Molecular formula
C12H18N4O3
Molecular weight
266.3
Exact mass
266.1379
XLogP
-0.03
TPSA
92.91
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.583
Molar refractivity
71.13
Supplementary Information
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