Molecule

ID:11736

General Information
Structure
MolImage
Molecular Formula
C₈H₇IO₂
Molecular Mass
262.04445
Exact Mass
261.94907746
Charge
0
InChI
InChI=1S/C8H7IO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3
InChIKey
DYUWQWMXZHDZOR-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)I
Isomeric Smiles
c1c(ccc(c1)C(=O)OC)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9056673
LogD (pH = 7.4)
2.9056673
Log P
2.9056673
Molar Refractivity
51.4458
Polarizability
19.985182
Polar Surface Area
26.3
Rotatable Bonds
2
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