Molecule

ID:7114

General Information
Structure
MolImage
Molecular Formula
C₉H₈F₄O
Molecular Mass
208.1528328
Exact Mass
208.05112776
Charge
0
InChI
InChI=1S/C9H8F4O/c1-6-4-2-3-5-7(6)14-9(12,13)8(10)11/h2-5,8H,1H3
InChIKey
OHXFFMAUQJFAAF-UHFFFAOYSA-N
Canonic Smiles
FC(C(Oc1ccccc1C)(F)F)F
Isomeric Smiles
c1ccc(c(c1)C)OC(C(F)F)(F)F
Calculated Properties
JChem
Acid pKa
18.811716
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6434703
LogD (pH = 7.4)
3.6434703
Log P
3.6434703
Molar Refractivity
42.6879
Polarizability
15.699939
Polar Surface Area
9.23
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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