Molecule

ID:12033

General Information
Structure
MolImage
Molecular Formula
C₅HF₉O₄
Molecular Mass
296.0446688
Exact Mass
295.97311249
Charge
0
InChI
InChI=1S/C5HF9O4/c6-2(7,1(15)16)17-3(8,9)4(10,11)18-5(12,13)14/h(H,15,16)
InChIKey
PPWRLPJIHGWGFH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
OC(=O)C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
-0.07527098
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.46755606
LogD (pH = 7.4)
0.46371618
Log P
3.9931345
Molar Refractivity
28.5932
Polarizability
12.63004
Polar Surface Area
55.76
Rotatable Bonds
6
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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