Molecule

ID:16369

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁FO
Molecular Mass
118.1493432
Exact Mass
118.07939319
Charge
0
InChI
InChI=1S/C6H11FO/c7-5-3-1-2-4-6(5)8/h5-6,8H,1-4H2/t5-,6-/m1/s1
InChIKey
LMYKFDDTPIOYQV-PHDIDXHHSA-N
Canonic Smiles
O[C@@H]1CCCC[C@H]1F
Isomeric Smiles
C1CC[C@H]([C@@H](C1)O)F
Calculated Properties
JChem
Acid pKa
13.905273
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.0968816
LogD (pH = 7.4)
1.0968815
Log P
1.0968816
Molar Refractivity
28.9449
Polarizability
11.415152
Polar Surface Area
20.23
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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