Molecule

ID:9278

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁F₃O
Molecular Mass
252.2317496
Exact Mass
252.07619963
Charge
0
InChI
InChI=1S/C14H11F3O/c15-14(16,17)12-8-6-11(7-9-12)13(18)10-4-2-1-3-5-10/h1-9,13,18H
InChIKey
LIZDGCXCDJOWBS-UHFFFAOYSA-N
Canonic Smiles
OC(c1ccccc1)c1ccc(cc1)C(F)(F)F
Isomeric Smiles
c1cccc(c1)C(c1ccc(cc1)C(F)(F)F)O
Calculated Properties
JChem
Acid pKa
13.714338
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.8679848
LogD (pH = 7.4)
3.8679845
Log P
3.8679848
Molar Refractivity
63.1304
Polarizability
23.37267
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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