Molecule

ID:65391

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆F₂O
Molecular Mass
202.2409464
Exact Mass
202.11692157
Charge
0
InChI
InChI=1S/C11H16F2O/c12-11(13)8-1-7-2-9(11)5-10(3-7,4-8)6-14/h7-9,14H,1-6H2
InChIKey
FUGCZPLJOOCMNN-UHFFFAOYSA-N
Canonic Smiles
OCC12CC3CC(C2)C(C(C1)C3)(F)F
Isomeric Smiles
FC1(C2CC3(CC(CC1C3)C2)CO)F
Calculated Properties
JChem
Acid pKa
18.44373
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.7787776
LogD (pH = 7.4)
1.7787776
Log P
1.7787776
Molar Refractivity
48.7772
Polarizability
18.925508
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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