Molecule

ID:23705

General Information
Structure
Molecular Formula
C₆H₃INNaO₂
Molecular Mass
270.98776
Exact Mass
270.91062062
Charge
0
InChI
InChI=1S/C6H4INO2.Na/c7-4-1-2-8-5(3-4)6(9)10;/h1-3H,(H,9,10);/q;+1/p-1
InChIKey
MXBYKBIRCCTBQG-UHFFFAOYSA-M
Canonic Smiles
[Na]OC(=O)c1cc(I)ccn1
Isomeric Smiles
c1cnc(cc1I)C(=O)O[Na]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9514611
LogD (pH = 7.4)
1.9514995
Log P
1.9515
Molar Refractivity
43.2202
Polarizability
19.089241
Polar Surface Area
39.19
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
暂无数据
点击上传数据
References
Bioactivity
Navigation