Molecule

ID:11991

General Information
Structure
MolImage
Molecular Formula
C₄H₃F₆I
Molecular Mass
291.9615092
Exact Mass
291.91836742
Charge
0
InChI
InChI=1S/C4H3F6I/c5-3(6,7)2(1-11)4(8,9)10/h2H,1H2
InChIKey
HCBFQHMXNKGYLU-UHFFFAOYSA-N
Canonic Smiles
ICC(C(F)(F)F)C(F)(F)F
Isomeric Smiles
C(C(C(F)(F)F)CI)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.3085334
LogD (pH = 7.4)
3.3085334
Log P
3.3085334
Molar Refractivity
35.0021
Polarizability
13.469955
Polar Surface Area
0.0
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