Molecule
ID:95495
General Information
Molecular Formula
C₁₅H₂₈F₃O₆P
Molecular Mass
392.3481906
Exact Mass
392.15755991
Charge
0
InChI
InChI=1S/C15H28F3O6P/c1-6-21-14(19)13(15(16,17)18)24-25(20,22-9-7-11(2)3)23-10-8-12(4)5/h11-13H,6-10H2,1-5H3
InChIKey
BLUACNZPEWBLFO-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(F)(F)F)OP(=O)(OCCC(C)C)OCCC(C)C
Isomeric Smiles
P(=O)(OC(C(F)(F)F)C(=O)OCC)(OCCC(C)C)OCCC(C)C
Calculated Properties
JChem
Acid pKa
13.48662
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.483352
LogD (pH = 7.4)
4.483352
Log P
4.483352
Molar Refractivity
85.7409
Polarizability
34.051876
Polar Surface Area
71.06
Rotatable Bonds
14
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
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
Loading...
Bioactivity
Loading...