Molecule

ID:54404

General Information
Structure
MolImage
Molecular Formula
C₅H₂F₂IN
Molecular Mass
240.9773564
Exact Mass
240.92000351
Charge
0
InChI
InChI=1S/C5H2F2IN/c6-3-2-9-5(7)1-4(3)8/h1-2H
InChIKey
OBVRKNZQNKGNTQ-UHFFFAOYSA-N
Canonic Smiles
Fc1ncc(c(c1)I)F
Isomeric Smiles
c1(cc(c(cn1)F)I)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3638525
LogD (pH = 7.4)
2.3638525
Log P
2.3638525
Molar Refractivity
38.7111
Polarizability
14.54228
Polar Surface Area
12.89
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