Molecule

ID:6487

General Information
Structure
Molecular Formula
C₇H₅F₇O₂
Molecular Mass
254.1022224
Exact Mass
254.01777694
Charge
0
InChI
InChI=1S/C7H5F7O2/c1-3(15)2-4(16)5(8,9)6(10,11)7(12,13)14/h2H2,1H3
InChIKey
QHBCZMRCKGKVSR-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C(C(F)(F)F)(F)F)(F)F)CC(=O)C
Isomeric Smiles
O=C(CC(=O)C)C(C(C(F)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
1.5467892
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.25415942
LogD (pH = 7.4)
-0.32143348
Log P
2.8617477
Molar Refractivity
36.4362
Polarizability
13.573532
Polar Surface Area
34.14
Rotatable Bonds
5
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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