Molecule

ID:9593

General Information
Structure
Molecular Formula
C₁₅H₁₇F₅O₂
Molecular Mass
324.286296
Exact Mass
324.11487088
Charge
0
InChI
InChI=1S/C15H17F5O2/c1-2-3-4-5-6-7-10(21)22-8-9-11(16)13(18)15(20)14(19)12(9)17/h2-8H2,1H3
InChIKey
HGHDCSVNNUJOIL-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCC(=O)OCc1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
c1(c(c(c(c(c1F)F)COC(=O)CCCCCCC)F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.2839103
LogD (pH = 7.4)
5.2839103
Log P
5.2839103
Molar Refractivity
70.7393
Polarizability
26.454418
Polar Surface Area
26.3
Rotatable Bonds
9
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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