Molecule

ID:98505

General Information
Structure
Molecular Formula
C₁₀H₁₁F₃O
Molecular Mass
204.1889496
Exact Mass
204.07619963
Charge
0
InChI
InChI=1S/C10H11F3O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1,3,5,7,14H,2,4,6H2
InChIKey
QWXKQVIMGVVIBX-UHFFFAOYSA-N
Canonic Smiles
OCCCc1cccc(c1)C(F)(F)F
Isomeric Smiles
OCCCc1cc(ccc1)C(F)(F)F
Calculated Properties
JChem
Acid pKa
15.963386
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.8169744
LogD (pH = 7.4)
2.8169744
Log P
2.8169744
Molar Refractivity
48.2036
Polarizability
17.518938
Polar Surface Area
20.23
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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