Molecule

ID:97569

General Information
Structure
MolImage
Molecular Formula
C₇H₇F₉O₂
Molecular Mass
294.1149088
Exact Mass
294.03023344
Charge
0
InChI
InChI=1S/C7H7F9O2/c8-4(9,1-3(18)2-17)5(10,11)6(12,13)7(14,15)16/h3,17-18H,1-2H2
InChIKey
FAQXMAJQQVDRQM-UHFFFAOYSA-N
Canonic Smiles
OCC(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
Isomeric Smiles
FC(C(C(C(CC(CO)O)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
14.124309
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.1784155
LogD (pH = 7.4)
2.1784153
Log P
2.1784155
Molar Refractivity
38.1297
Polarizability
14.750366
Polar Surface Area
40.46
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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