Molecule

ID:96935

General Information
Structure
MolImage
Molecular Formula
C₉H₃F₁₅O₃
Molecular Mass
444.094368
Exact Mass
443.98426726
Charge
0
InChI
InChI=1S/C9H3F15O3/c1-26-2(25)3(10,7(17,18)19)27-9(23,24)6(15,16)4(11,12)5(13,14)8(20,21)22/h1H3
InChIKey
WROKQQSASYUOAS-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(C(F)(F)F)(OC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F
Isomeric Smiles
FC(C(F)(F)F)(F)C(F)(F)C(F)(F)C(F)(F)OC(C(=O)OC)(F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.5434785
LogD (pH = 7.4)
5.5434785
Log P
5.5434785
Molar Refractivity
49.2423
Polarizability
19.282879
Polar Surface Area
35.53
Rotatable Bonds
9
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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