Molecule

ID:96192

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉FO₃
Molecular Mass
242.2865632
Exact Mass
242.13182269
Charge
0
InChI
InChI=1S/C13H19FO3/c1-13(15,9-12(16-2)17-3)8-10-4-6-11(14)7-5-10/h4-7,12,15H,8-9H2,1-3H3
InChIKey
AVZDLLDTMAVFRI-UHFFFAOYSA-N
Canonic Smiles
COC(CC(Cc1ccc(cc1)F)(O)C)OC
Isomeric Smiles
OC(CC(OC)OC)(Cc1ccc(cc1)F)C
Calculated Properties
JChem
Acid pKa
14.785319
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.4798331
LogD (pH = 7.4)
2.4798331
Log P
2.4798331
Molar Refractivity
63.4301
Polarizability
24.831137
Polar Surface Area
38.69
Rotatable Bonds
6
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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