Molecule
ID:7392
General Information
Molecular Formula
C₉H₇F₁₃O₂
Molecular Mass
394.1299216
Exact Mass
394.02384632
Charge
0
InChI
InChI=1S/C9H7F13O2/c10-4(11,1-3(24)2-23)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h3,23-24H,1-2H2
InChIKey
DAHZCNRVTNHGGR-UHFFFAOYSA-N
Canonic Smiles
OCC(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
Isomeric Smiles
FC(C(C(C(C(C(CC(CO)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
14.1243105
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.579701
LogD (pH = 7.4)
3.579701
Log P
3.579701
Molar Refractivity
47.4657
Polarizability
18.542137
Polar Surface Area
40.46
Rotatable Bonds
8
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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