Molecule

ID:98985

General Information
Structure
Molecular Formula
C₇H₃F₁₁O₃
Molecular Mass
344.0793552
Exact Mass
343.99065438
Charge
0
InChI
InChI=1S/C7H3F11O3/c1-20-2(19)3(8,9)7(17,18)21-4(10,5(11,12)13)6(14,15)16/h1H3
InChIKey
ZIBMBDGKVCYGHR-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(C(OC(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F
Isomeric Smiles
O(C(C(C(=O)OC)(F)F)(F)F)C(C(F)(F)F)(C(F)(F)F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.142193
LogD (pH = 7.4)
4.142193
Log P
4.142193
Molar Refractivity
39.9063
Polarizability
15.46247
Polar Surface Area
35.53
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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