SMILES:
O=c1[nH]cc(-c2cccnc2Cl)c(=O)[nH]1Molecular Processing
Molecular formula
C9H6ClN3O2
Molecular weight
223.62
Exact mass
223.0149
XLogP
0.78
TPSA
78.61
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
55.92
Supplementary Information
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