Molecule

ID:122149

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅F₃O₂
Molecular Mass
272.2629096
Exact Mass
272.10241438
Charge
0
InChI
InChI=1S/C14H15F3O2/c1-13(2,3)10-6-4-9(5-7-10)11(18)8-12(19)14(15,16)17/h4-7H,8H2,1-3H3
InChIKey
UROAUAWOKMUVMK-UHFFFAOYSA-N
Canonic Smiles
O=C(C(F)(F)F)CC(=O)c1ccc(cc1)C(C)(C)C
Isomeric Smiles
C(C(=O)CC(=O)c1ccc(C(C)(C)C)cc1)(F)(F)F
Calculated Properties
JChem
Acid pKa
7.7979126
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.427952
LogD (pH = 7.4)
4.28411
Log P
4.4301324
Molar Refractivity
66.0321
Polarizability
24.390696
Polar Surface Area
34.14
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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