Molecule

ID:97548

General Information
Structure
Molecular Formula
C₁₀H₆F₁₂O₇
Molecular Mass
466.1312784
Exact Mass
465.99219117
Charge
0
InChI
InChI=1S/C10H6F12O7/c1-25-3(23)5(11,12)27-7(15,16)9(19,20)29-10(21,22)8(17,18)28-6(13,14)4(24)26-2/h1-2H3
InChIKey
WLUWVVHUMQEZQT-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(OC(C(OC(C(OC(C(=O)OC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
O(C(C(OC(C(OC(C(=O)OC)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(=O)OC)(F)F
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
4.975942
LogD (pH = 7.4)
4.975942
Log P
4.975942
Molar Refractivity
60.4979
Polarizability
23.273443
Polar Surface Area
80.29
Rotatable Bonds
12
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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