SMILES:
O=C(O)CONC(=O)NCc1ccncc1Molecular Processing
Molecular formula
C9H11N3O4
Molecular weight
225.2
Exact mass
225.075
XLogP
-0.1
TPSA
100.55
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
53.2
Supplementary Information
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