Molecule

ID:95488

General Information
Structure
Molecular Formula
C₁₄H₂₆F₃O₆P
Molecular Mass
378.3216106
Exact Mass
378.14190984
Charge
0
InChI
InChI=1S/C14H26F3O6P/c1-4-6-8-10-21-24(19,22-11-9-7-5-2)23-12(13(18)20-3)14(15,16)17/h12H,4-11H2,1-3H3
InChIKey
DGKXSNXZFMGDNC-UHFFFAOYSA-N
Canonic Smiles
CCCCCOP(=O)(OC(C(F)(F)F)C(=O)OC)OCCCCC
Isomeric Smiles
P(=O)(OC(C(F)(F)F)C(=O)OC)(OCCCCC)OCCCCC
Calculated Properties
JChem
Acid pKa
13.486888
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.4416437
LogD (pH = 7.4)
4.441643
Log P
4.4416437
Molar Refractivity
81.0971
Polarizability
32.252747
Polar Surface Area
71.06
Rotatable Bonds
15
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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