SMILES:
COc1cc(I)c(Cl)cc1C(=O)OMolecular Processing
Molecular formula
C8H6ClIO3
Molecular weight
312.49
Exact mass
311.905
XLogP
2.65
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
57.68
Supplementary Information
Details werden geladen…
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