SMILES:
O=C(NCc1cn(-c2ccc(-n3ccccc3=O)cc2O)cn1)c1ccc(Cl)s1Molecular Processing
Molecular formula
C20H15ClN4O3S
Molecular weight
426.89
Exact mass
426.0553
XLogP
3.37
TPSA
89.15
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
29
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.05
Molar refractivity
111.33
Supplementary Information
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