Molecule

ID:97586

General Information
Structure
MolImage
Molecular Formula
C₇H₅F₉O₂
Molecular Mass
292.0990288
Exact Mass
292.01458338
Charge
0
InChI
InChI=1S/C7H5F9O2/c8-4(6(11,12)13,2-1-3(17)18)5(9,10)7(14,15)16/h1-2H2,(H,17,18)
InChIKey
IYOGFVCBZQWDQL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCC(C(C(F)(F)F)(F)F)(C(F)(F)F)F
Isomeric Smiles
FC(F)(F)C(CCC(=O)O)(C(C(F)(F)F)(F)F)F
Calculated Properties
JChem
Acid pKa
1.8680739
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.30621073
LogD (pH = 7.4)
-0.55462885
Log P
2.970543
Molar Refractivity
37.2362
Polarizability
14.159863
Polar Surface Area
37.3
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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