Molecule
ID:113542
General Information
Molecular Formula
C₅H₄INO₂
Molecular Mass
236.99523
Exact Mass
236.92867637
Charge
0
InChI
InChI=1S/C5H4INO2/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H2,7,8)
InChIKey
AKKFGWSPAALKCX-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1ccc(o1)I
Isomeric Smiles
c1(oc(cc1)I)C(=O)N
Calculated Properties
JChem
Acid pKa
13.244256
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.8072454
LogD (pH = 7.4)
0.80724496
Log P
0.8072454
Molar Refractivity
39.1887
Polarizability
15.68911
Polar Surface Area
56.23
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...