Molecule

ID:93237

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆F₁₅IO
Molecular Mass
554.034558
Exact Mass
553.92238611
Charge
0
InChI
InChI=1S/C10H6F15IO/c11-4(12,1-3(26)2-27)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h3,27H,1-2H2
InChIKey
DQVFKOBJDNVRJK-UHFFFAOYSA-N
Canonic Smiles
OCC(CC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
Isomeric Smiles
OCC(CC(F)(F)C(F)(F)C(F)(F)C(C(C(F)(F)C(F)(F)F)(F)F)(F)F)I
Calculated Properties
JChem
Acid pKa
14.607741
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
6.068977
LogD (pH = 7.4)
6.068977
Log P
6.068977
Molar Refractivity
63.5431
Polarizability
25.216942
Polar Surface Area
20.23
Rotatable Bonds
9
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