Molecule

ID:86169

General Information
Structure
MolImage
Molecular Formula
C₈H₄I₂N₂O₂
Molecular Mass
413.9385
Exact Mass
413.83622338
Charge
0
InChI
InChI=1S/C8H4I2N2O2/c9-5-1-4(2-6(10)7(5)13)8-12-11-3-14-8/h1-3,13H
InChIKey
LDJICETZDKOZND-UHFFFAOYSA-N
Canonic Smiles
Oc1c(I)cc(cc1I)c1nnco1
Isomeric Smiles
n1c(c2cc(c(c(c2)I)O)I)ocn1
Calculated Properties
JChem
Acid pKa
6.2127137
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.4576108
LogD (pH = 7.4)
1.3751757
Log P
2.5337794
Molar Refractivity
80.7911
Polarizability
27.165535
Polar Surface Area
59.15
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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