SMILES:
CCCOC1C(O)C(CO)OC1n1ccc(N)nc1=OMolecular Processing
Molecular formula
C12H19N3O5
Molecular weight
285.3
Exact mass
285.1325
XLogP
-1.13
TPSA
119.83
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
69.94
Supplementary Information
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