Molecule
ID:92935
General Information
Molecular Formula
C₇H₅IO₃
Molecular Mass
264.01727
Exact Mass
263.92834202
Charge
0
InChI
InChI=1S/C7H5IO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11)
InChIKey
BJZXBZGGLXHODK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(c(c1)I)O
Isomeric Smiles
OC(=O)c1cc(c(cc1)O)I
Calculated Properties
JChem
Acid pKa
4.2539682
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.988138
LogD (pH = 7.4)
-0.76676816
Log P
2.256208
Molar Refractivity
48.6576
Polarizability
18.699337
Polar Surface Area
57.53
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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