Molecule

ID:8589

General Information
Structure
MolImage
Molecular Formula
C₅H₅F₇O₄
Molecular Mass
262.0796224
Exact Mass
262.00760618
Charge
0
InChI
InChI=1S/C5H5F7O4/c6-1(2(13,14)4(7,8)9)3(15,16)5(10,11)12/h1,13-16H
InChIKey
NZCXKNVJJQJKKN-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(F)(F)F)(O)O)C(C(F)(F)F)(O)O
Isomeric Smiles
C(C(C(C(C(F)(F)F)(O)O)F)(O)O)(F)(F)F
Calculated Properties
JChem
Acid pKa
6.7389607
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
0.67783576
LogD (pH = 7.4)
-0.29090193
Log P
0.70243627
Molar Refractivity
31.9992
Polarizability
12.793659
Polar Surface Area
80.92
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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