Molecule

ID:8286

General Information
Structure
Molecular Formula
C₁₃F₁₀O₃
Molecular Mass
394.121332
Exact Mass
393.96877606
Charge
0
InChI
InChI=1S/C13F10O3/c14-1-3(16)7(20)11(8(21)4(1)17)25-13(24)26-12-9(22)5(18)2(15)6(19)10(12)23
InChIKey
IOVVFSGCNWQFQT-UHFFFAOYSA-N
Canonic Smiles
O=C(Oc1c(F)c(F)c(c(c1F)F)F)Oc1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
C(=O)(Oc1c(c(c(c(c1F)F)F)F)F)Oc1c(c(c(c(c1F)F)F)F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.2847757
LogD (pH = 7.4)
5.2847757
Log P
5.2847757
Molar Refractivity
60.7556
Polarizability
22.17267
Polar Surface Area
35.53
Rotatable Bonds
4
Lipinski's Rule of Five
false
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
References
Bioactivity
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