Molecule

ID:93364

General Information
Structure
MolImage
Molecular Formula
C₁₃H₇F₅O
Molecular Mass
274.186096
Exact Mass
274.04170594
Charge
0
InChI
InChI=1S/C13H7F5O/c14-8-7(9(15)11(17)12(18)10(8)16)13(19)6-4-2-1-3-5-6/h1-5,13,19H/t13-/m0/s1
InChIKey
PMIIFKURPQGSMI-ZDUSSCGKSA-N
Canonic Smiles
O[C@H](c1c(F)c(F)c(c(c1F)F)F)c1ccccc1
Isomeric Smiles
Fc1c(c(c(c(c1F)F)F)[C@H](c1ccccc1)O)F
Calculated Properties
JChem
Acid pKa
12.80268
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.703646
LogD (pH = 7.4)
3.7036443
Log P
3.703646
Molar Refractivity
58.2387
Polarizability
21.15242
Polar Surface Area
20.23
Rotatable Bonds
2
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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