Molecule

ID:98084

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₄F₄O₂
Molecular Mass
338.2961728
Exact Mass
338.09299257
Charge
0
InChI
InChI=1S/C18H14F4O2/c1-16(23,14-9-5-6-10-15(14)19)11-12-17(24,18(20,21)22)13-7-3-2-4-8-13/h2-10,23-24H,1H3
InChIKey
YZRQUFKFGIXVJU-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1C(C#CC(C(F)(F)F)(c1ccccc1)O)(O)C
Isomeric Smiles
OC(c1ccccc1)(C(F)(F)F)C#CC(c1c(cccc1)F)(C)O
Calculated Properties
JChem
Acid pKa
9.011522
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
4.1356554
LogD (pH = 7.4)
4.1253037
Log P
4.135789
Molar Refractivity
81.8769
Polarizability
30.066408
Polar Surface Area
40.46
Rotatable Bonds
5
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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