Molecule

ID:9600

General Information
Structure
MolImage
Molecular Formula
C₄H₅F₅O
Molecular Mass
164.073916
Exact Mass
164.02605588
Charge
0
InChI
InChI=1S/C4H5F5O/c1-2(10)3(5,6)4(7,8)9/h2,10H,1H3
InChIKey
BUGIAHXXBFVPGW-UHFFFAOYSA-N
Canonic Smiles
CC(C(C(F)(F)F)(F)F)O
Isomeric Smiles
OC(C)C(C(F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
12.522134
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.5537369
LogD (pH = 7.4)
1.5537336
Log P
1.5537369
Molar Refractivity
22.7982
Polarizability
8.55946
Polar Surface Area
20.23
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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