Molecule

ID:9594

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇F₅O₂
Molecular Mass
254.153396
Exact Mass
254.03662056
Charge
0
InChI
InChI=1S/C10H7F5O2/c1-2-5(16)17-3-4-6(11)8(13)10(15)9(14)7(4)12/h2-3H2,1H3
InChIKey
OSTITJFUUAETGN-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)OCc1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
c1(c(c(c(c(c1F)COC(=O)CC)F)F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.061067
LogD (pH = 7.4)
3.061067
Log P
3.061067
Molar Refractivity
47.7343
Polarizability
17.586823
Polar Surface Area
26.3
Rotatable Bonds
4
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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