SMILES:
OCCc1ccc(Cl)cc1IMolecular Processing
Molecular formula
C8H8ClIO
Molecular weight
282.51
Exact mass
281.9308
XLogP
2.48
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
54.96
Supplementary Information
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