Molecule

ID:64006

General Information
Structure
Molecular Formula
C₁₁H₁₇FO
Molecular Mass
184.2504832
Exact Mass
184.12634338
Charge
0
InChI
InChI=1S/C11H17FO/c12-11-4-8-1-9(5-11)3-10(2-8,6-11)7-13/h8-9,13H,1-7H2
InChIKey
HSPPHIJMDJLXOW-UHFFFAOYSA-N
Canonic Smiles
OCC12CC3CC(C1)CC(C2)(C3)F
Isomeric Smiles
C1C2(CC3CC(CC1C3)(C2)F)CO
Calculated Properties
JChem
Acid pKa
15.10377
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.4831971
LogD (pH = 7.4)
1.4831971
Log P
1.4831971
Molar Refractivity
48.4358
Polarizability
19.129372
Polar Surface Area
20.23
Rotatable Bonds
1
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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