Molecule

ID:9773

General Information
Structure
MolImage
Molecular Formula
C₃H₃F₅O
Molecular Mass
150.047336
Exact Mass
150.01040582
Charge
0
InChI
InChI=1S/C3H3F5O/c4-2(5,1-9)3(6,7)8/h9H,1H2
InChIKey
PSQZJKGXDGNDFP-UHFFFAOYSA-N
Canonic Smiles
OCC(C(F)(F)F)(F)F
Isomeric Smiles
C(C(CO)(F)F)(F)(F)F
Calculated Properties
JChem
Acid pKa
12.524556
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.1371619
LogD (pH = 7.4)
1.1371586
Log P
1.1371619
Molar Refractivity
18.3794
Polarizability
6.9320416
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
No Data Available
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Molecule Details
References
Bioactivity
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