Molecule

ID:16229

General Information
Structure
MolImage
Molecular Formula
C₆H₆INO
Molecular Mass
235.02241
Exact Mass
234.94941182
Charge
0
InChI
InChI=1S/C6H6INO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H,8H2
InChIKey
GUGSDWSSHLBVST-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)I)O
Isomeric Smiles
c1c(c(cc(c1)N)I)O
Calculated Properties
JChem
Acid pKa
9.2769985
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.71435
LogD (pH = 7.4)
1.7629685
Log P
1.769699
Molar Refractivity
46.1018
Polarizability
17.337414
Polar Surface Area
46.25
Rotatable Bonds
0
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