Molecule

ID:96504

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅F₃O₂
Molecular Mass
260.2522096
Exact Mass
260.10241438
Charge
0
InChI
InChI=1S/C13H15F3O2/c1-12(2,3)11(17)18-8-9-4-6-10(7-5-9)13(14,15)16/h4-7H,8H2,1-3H3
InChIKey
CYLJUQRCUPNCST-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C)(C)C)OCc1ccc(cc1)C(F)(F)F
Isomeric Smiles
O(C(=O)C(C)(C)C)Cc1ccc(cc1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.324406
LogD (pH = 7.4)
4.324406
Log P
4.324406
Molar Refractivity
61.7015
Polarizability
23.246822
Polar Surface Area
26.3
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
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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