SMILES:
CC(C)(C)OC(=O)NCc1nnc2ccc(C=O)nn12Molecular Processing
Molecular formula
C12H15N5O3
Molecular weight
277.28
Exact mass
277.1175
XLogP
0.96
TPSA
98.48
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
69.24
Supplementary Information
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