Molecule

ID:9286

General Information
Structure
MolImage
Molecular Formula
C₆HF₉O₂
Molecular Mass
276.0565688
Exact Mass
275.98328325
Charge
0
InChI
InChI=1S/C6HF9O2/c7-1(3(16)17)2(8)4(9,5(10,11)12)6(13,14)15/h(H,16,17)/b2-1+
InChIKey
TWDHAMRDYDLSPH-OWOJBTEDSA-N
Canonic Smiles
OC(=O)/C(=C(/C(C(F)(F)F)(C(F)(F)F)F)\F)/F
Isomeric Smiles
C(C(/C(=C(/C(=O)O)\F)/F)(F)C(F)(F)F)(F)(F)F
Calculated Properties
JChem
Acid pKa
0.41124925
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3909911
LogD (pH = 7.4)
-1.4026557
Log P
2.126661
Molar Refractivity
33.8382
Polarizability
12.304556
Polar Surface Area
37.3
Rotatable Bonds
4
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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