Molecule

ID:11773

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)13(18,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,18H
InChIKey
MJZYEOYNWIIQIV-UHFFFAOYSA-N
Canonic Smiles
OC(C(F)(F)F)(c1ccccc1)c1ccccc1
Isomeric Smiles
C(c1ccccc1)(c1ccccc1)(C(F)(F)F)O
Calculated Properties
JChem
Acid pKa
10.024826
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.7302687
LogD (pH = 7.4)
3.7292535
Log P
3.7302816
Molar Refractivity
62.6974
Polarizability
23.386467
Polar Surface Area
20.23
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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