Molecule

ID:91424

General Information
Structure
MolImage
Molecular Formula
C₇H₄IN₃O₂
Molecular Mass
289.03003
Exact Mass
288.93482438
Charge
0
InChI
InChI=1S/C7H4IN3O2/c9-11-10-8-6-4-2-1-3-5(6)7(12)13-8/h1-4H
InChIKey
XRUIUFFBFTVHKT-UHFFFAOYSA-N
Canonic Smiles
N#N=N[I]1OC(=O)c2c1cccc2
Isomeric Smiles
[I]1(c2ccccc2C(=O)O1)N=N#N
Calculated Properties
JChem
H Acceptors
0
H Donor
0
Molar Refractivity
76.6931
Polar Surface Area
76.05
Rotatable Bonds
1
Lipinski's Rule of Five
false
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