O=C(O)c1cccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)c1
SMILES: O=C(O)c1cccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)c1

Molecular Processing

Molecular formula
C17H14N4O4
Molecular weight
338.32
Exact mass
338.1015
XLogP
2.57
TPSA
105.82
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
87.82

Supplementary Information

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