SMILES:
Cc1ccc(-n2nc(C)c(N=Nc3ccc(C(=O)O)cc3O)c2O)cc1Molecular Processing
Molecular formula
C18H16N4O4
Molecular weight
352.35
Exact mass
352.1172
XLogP
4.01
TPSA
120.3
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
93.94
Supplementary Information
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