Molecule
ID:93459
General Information
Molecular Formula
C₁₉H₁₄F₆O₂
Molecular Mass
388.3036792
Exact Mass
388.08979901
Charge
0
InChI
InChI=1S/C19H14F6O2/c1-16(26,14-8-5-9-15(12-14)18(20,21)22)10-11-17(27,19(23,24)25)13-6-3-2-4-7-13/h2-9,12,26-27H,1H3
InChIKey
QXPGFWNTSKMPDG-UHFFFAOYSA-N
Canonic Smiles
FC(C(c1ccccc1)(C#CC(c1cccc(c1)C(F)(F)F)(O)C)O)(F)F
Isomeric Smiles
FC(F)(F)C(c1ccccc1)(C#CC(c1cc(ccc1)C(F)(F)F)(C)O)O
Calculated Properties
JChem
Acid pKa
9.011804
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
4.870802
LogD (pH = 7.4)
4.860457
Log P
4.8709354
Molar Refractivity
87.6342
Polarizability
31.632582
Polar Surface Area
40.46
Rotatable Bonds
6
Lipinski's Rule of Five
true
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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