Molecule

ID:24879

General Information
Structure
MolImage
Molecular Formula
C₅H₄IN₃O₄
Molecular Mass
297.00743
Exact Mass
296.92465362
Charge
0
InChI
InChI=1S/C5H4IN3O4/c6-3-1-8(2-4(10)11)7-5(3)9(12)13/h1H,2H2,(H,10,11)
InChIKey
CRKHKODFCFMZEU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cn1cc(c(n1)[N+](=O)[O-])I
Isomeric Smiles
c1(c(cn(n1)CC(=O)O)I)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
1.8968813
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.9213401
LogD (pH = 7.4)
-2.1824033
Log P
1.3424754
Molar Refractivity
62.0467
Polarizability
19.130045
Polar Surface Area
100.94
Rotatable Bonds
3
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