Molecule

ID:69510

General Information
Structure
MolImage
Molecular Formula
C₇H₅IO₃
Molecular Mass
264.01727
Exact Mass
263.92834202
Charge
0
InChI
InChI=1S/C7H5IO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9H,(H,10,11)
InChIKey
UABBBWVTEWIIMN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(c(c1)O)I
Isomeric Smiles
C(=O)(c1cc(c(cc1)I)O)O
Calculated Properties
JChem
Acid pKa
3.8137674
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.5668311
LogD (pH = 7.4)
-1.0378052
Log P
2.256208
Molar Refractivity
48.6576
Polarizability
18.699614
Polar Surface Area
57.53
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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