SMILES:
COc1c(I)ccc2oc(C(=O)O)c(C)c12Molecular Processing
Molecular formula
C11H9IO4
Molecular weight
332.09
Exact mass
331.9546
XLogP
3.05
TPSA
59.67
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
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
0.182
Molar refractivity
67.18
Supplementary Information
Details werden geladen…
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