Molecule

ID:95411

General Information
Structure
MolImage
Molecular Formula
C₇HF₁₃O
Molecular Mass
348.0614816
Exact Mass
347.98198151
Charge
0
InChI
InChI=1S/C7HF13O/c8-1(9)3(11,12)5(15,16)7(19,20)6(17,18)4(13,14)2(10)21/h1H
InChIKey
ZEZLMEWVHJPIDP-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(C(=O)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
Isomeric Smiles
FC(=O)C(F)(C(F)(F)C(F)(C(F)(F)C(C(F)F)(F)F)F)F
Calculated Properties
JChem
Acid pKa
19.786774
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.1691766
LogD (pH = 7.4)
4.1691766
Log P
4.1691766
Molar Refractivity
35.3277
Polarizability
14.138569
Polar Surface Area
17.07
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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