Molecule

ID:9120

General Information
Structure
MolImage
Molecular Formula
C₇HF₁₁O₂
Molecular Mass
326.0640752
Exact Mass
325.98008969
Charge
0
InChI
InChI=1S/C7HF11O2/c8-2(1(19)20)3(9,10)5(13,14)7(17,18)6(15,16)4(2,11)12/h(H,19,20)
InChIKey
VTXSVMHCHVIRJR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1(F)C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F
Isomeric Smiles
C1(C(C(C(C(C1(F)F)(C(=O)O)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
-0.21185084
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.05652327
LogD (pH = 7.4)
-0.059330832
Log P
3.4701009
Molar Refractivity
33.7348
Polarizability
13.876373
Polar Surface Area
37.3
Rotatable Bonds
1
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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