Molecule
ID:98990
General Information
Molecular Formula
C₁₁H₇F₁₅O₃
Molecular Mass
472.147528
Exact Mass
472.01556738
Charge
0
InChI
InChI=1S/C11H7F15O3/c1-2-3-28-4(27)5(12,13)6(14,15)7(16,17)11(25,26)29-8(18,9(19,20)21)10(22,23)24/h2-3H2,1H3
InChIKey
PWGBZBDTQADSAZ-UHFFFAOYSA-N
Canonic Smiles
CCCOC(=O)C(C(C(C(OC(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
O(C(C(C(C(C(=O)OCCC)(F)F)(F)F)(F)F)(F)F)C(C(F)(F)F)(C(F)(F)F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.4228086
LogD (pH = 7.4)
6.4228086
Log P
6.4228086
Molar Refractivity
58.5149
Polarizability
22.485126
Polar Surface Area
35.53
Rotatable Bonds
11
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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