SMILES:
NCc1cc(I)c(N)cc1ClMolecular Processing
Molecular formula
C7H8ClIN2
Molecular weight
282.51
Exact mass
281.9421
XLogP
1.99
TPSA
52.04
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
56.47
Supplementary Information
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