Molecule

ID:89211

General Information
Structure
Molecular Formula
C₆H₃I₃O
Molecular Mass
471.80083
Exact Mass
471.73180872
Charge
0
InChI
InChI=1S/C6H3I3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChIKey
VAPDZNUFNKUROY-UHFFFAOYSA-N
Canonic Smiles
Ic1cc(I)c(c(c1)I)O
Isomeric Smiles
Ic1c(c(cc(c1)I)I)O
Calculated Properties
JChem
Acid pKa
6.84858
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.4376245
LogD (pH = 7.4)
3.8093052
Log P
4.456514
Molar Refractivity
68.1264
Polarizability
27.313324
Polar Surface Area
20.23
Rotatable Bonds
0
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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