Molecule

ID:9355

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉F₅O
Molecular Mass
288.212676
Exact Mass
288.05735601
Charge
0
InChI
InChI=1S/C14H9F5O/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h1-8,20H
InChIKey
FLLLTDUIYQQQQP-UHFFFAOYSA-N
Canonic Smiles
OC(C(F)(F)F)(c1ccc(cc1)F)c1ccc(cc1)F
Isomeric Smiles
C(c1ccc(cc1)F)(c1ccc(cc1)F)(O)C(F)(F)F
Calculated Properties
JChem
Acid pKa
9.968347
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.015671
LogD (pH = 7.4)
4.014515
Log P
4.0156856
Molar Refractivity
63.1302
Polarizability
23.043566
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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