Molecule

ID:6453

General Information
Structure
MolImage
Molecular Formula
C₅H₄F₇I
Molecular Mass
323.9785524
Exact Mass
323.92459567
Charge
0
InChI
InChI=1S/C5H4F7I/c6-3(1-2-13,4(7,8)9)5(10,11)12/h1-2H2
InChIKey
NRVDKMYDLZBFEH-UHFFFAOYSA-N
Canonic Smiles
ICCC(C(F)(F)F)(C(F)(F)F)F
Isomeric Smiles
C(C(CCI)(F)C(F)(F)F)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.6064656
LogD (pH = 7.4)
3.6064656
Log P
3.6064656
Molar Refractivity
39.4701
Polarizability
15.2307
Polar Surface Area
0.0
Rotatable Bonds
4
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