Molecule

ID:97100

General Information
Structure
Molecular Formula
C₆F₈O₄
Molecular Mass
288.0490256
Exact Mass
287.96688424
Charge
0
InChI
InChI=1S/C6F8O4/c7-1(15)4(6(12,13)14)17-2(16)3(8,18-4)5(9,10)11
InChIKey
NVLMRLQANVCTOG-UHFFFAOYSA-N
Canonic Smiles
FC(=O)C1(OC(=O)C(O1)(F)C(F)(F)F)C(F)(F)F
Isomeric Smiles
O1C(=O)C(OC1(C(=O)F)C(F)(F)F)(F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.0101738
LogD (pH = 7.4)
3.0101738
Log P
3.0101738
Molar Refractivity
33.0077
Polarizability
13.150002
Polar Surface Area
52.6
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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