Molecule

ID:6486

General Information
Structure
MolImage
Molecular Formula
C₈H₅F₉O₂
Molecular Mass
304.1097288
Exact Mass
304.01458338
Charge
0
InChI
InChI=1S/C8H5F9O2/c1-3(18)2-4(19)5(9,10)6(11,12)7(13,14)8(15,16)17/h2H2,1H3
InChIKey
NQPVZXRGQCXFLN-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CC(=O)C
Isomeric Smiles
C(C(C(C(C(=O)CC(=O)C)(F)F)(F)F)(F)F)(F)(F)F
Calculated Properties
JChem
Acid pKa
1.5486165
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.44674933
LogD (pH = 7.4)
0.37921315
Log P
3.5623906
Molar Refractivity
41.1042
Polarizability
15.449974
Polar Surface Area
34.14
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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