SMILES:
Cc1cc(C(=O)c2cc(Cl)ncn2)cc2oc(=O)[nH]c12Molecular Processing
Molecular formula
C13H8ClN3O3
Molecular weight
289.68
Exact mass
289.0254
XLogP
2.1
TPSA
88.85
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
72.05
Supplementary Information
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