Molecule

ID:87809

General Information
Structure
Molecular Formula
C₇H₆INO₂
Molecular Mass
263.03251
Exact Mass
262.94432644
Charge
0
InChI
InChI=1S/C7H6INO2/c1-11-7(10)5-3-2-4-9-6(5)8/h2-4H,1H3
InChIKey
CCCNMWCQSYSBJU-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccnc1I
Isomeric Smiles
n1c(c(ccc1)C(=O)OC)I
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7205817
LogD (pH = 7.4)
1.7205825
Log P
1.7205825
Molar Refractivity
48.997
Polarizability
19.286093
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