Molecule

ID:100596

General Information
Structure
Molecular Formula
C₁₂H₉F₁₅O₂
Molecular Mass
470.174708
Exact Mass
470.03630283
Charge
0
InChI
InChI=1S/C12H9F15O2/c1-2-3-4-29-5(28)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)27/h2-4H2,1H3
InChIKey
SBMFZWPPSPRLTN-UHFFFAOYSA-N
Canonic Smiles
CCCCOC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
O=C(C(F)(F)C(F)(F)C(C(F)(F)C(C(C(F)(F)F)(F)F)(F)F)(F)F)OCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.582632
LogD (pH = 7.4)
6.582632
Log P
6.582632
Molar Refractivity
60.3046
Polarizability
23.27042
Polar Surface Area
26.3
Rotatable Bonds
11
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
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Molecule Details
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References
Bioactivity
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