SMILES:
Nc1ncc(I)c2cc(Cl)oc12Molecular Processing
Molecular formula
C7H4ClIN2O
Molecular weight
294.48
Exact mass
293.9057
XLogP
2.67
TPSA
52.05
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
12
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
56.15
Supplementary Information
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