Molecule

ID:94666

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)12-6-8-13(9-7-12)18-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey
SNRFAICCYVUTRG-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc(cc1)OCc1ccccc1)(F)F
Isomeric Smiles
O(c1ccc(cc1)C(F)(F)F)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.4178963
LogD (pH = 7.4)
4.4178963
Log P
4.4178963
Molar Refractivity
63.1075
Polarizability
23.432539
Polar Surface Area
9.23
Rotatable Bonds
4
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
No Data Available
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Molecule Details
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References
Bioactivity
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