Molecule

ID:99019

General Information
Structure
MolImage
Molecular Formula
C₇H₅F₉O₂
Molecular Mass
292.0990288
Exact Mass
292.01458338
Charge
0
InChI
InChI=1S/C7H5F9O2/c8-5(9,10)4(6(11,12)13,7(14,15)16)2-1-3(17)18/h1-2H2,(H,17,18)
InChIKey
KLCHKVPLFZBIKO-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
Isomeric Smiles
OC(=O)CCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
Acid pKa
1.8183689
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.25130445
LogD (pH = 7.4)
-0.47895935
Log P
3.046675
Molar Refractivity
38.2938
Polarizability
14.165118
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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