Molecule

ID:45165

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)13-7-5-12(6-8-13)11-3-1-10(9-18)2-4-11/h1-8,18H,9H2
InChIKey
YCVFDTRUBSFXSA-UHFFFAOYSA-N
Canonic Smiles
OCc1ccc(cc1)c1ccc(cc1)C(F)(F)F
Isomeric Smiles
C(c1ccc(c2ccc(cc2)CO)cc1)(F)(F)F
Calculated Properties
JChem
Acid pKa
14.995109
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.73097
LogD (pH = 7.4)
3.73097
Log P
3.73097
Molar Refractivity
63.9838
Polarizability
24.650774
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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