Molecule

ID:88892

General Information
Structure
MolImage
Molecular Formula
C₇H₄BrIO₂
Molecular Mass
326.91393
Exact Mass
325.84393937
Charge
0
InChI
InChI=1S/C7H4BrIO2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
InChIKey
MKJBJYCBKXPQSY-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(I)cc(c1)C(=O)O
Isomeric Smiles
OC(=O)c1cc(cc(c1)I)Br
Calculated Properties
JChem
Acid pKa
3.8022554
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6285086
LogD (pH = 7.4)
0.06718045
Log P
3.3285258
Molar Refractivity
54.2995
Polarizability
21.128016
Polar Surface Area
37.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation