Molecule

ID:97854

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁F₃O
Molecular Mass
204.1889496
Exact Mass
204.07619963
Charge
0
InChI
InChI=1S/C10H11F3O/c1-2-9(14)7-3-5-8(6-4-7)10(11,12)13/h3-6,9,14H,2H2,1H3/t9-/m1/s1
InChIKey
DSPWVWRWAPFFNC-SECBINFHSA-N
Canonic Smiles
CC[C@H](c1ccc(cc1)C(F)(F)F)O
Isomeric Smiles
FC(c1ccc(cc1)[C@H](O)CC)(F)F
Calculated Properties
JChem
Acid pKa
14.458197
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.022842
LogD (pH = 7.4)
3.022842
Log P
3.022842
Molar Refractivity
47.7904
Polarizability
17.582767
Polar Surface Area
20.23
Rotatable Bonds
3
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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