Molecule
ID:8583
General Information
Molecular Formula
C₁₃H₉F
Molecular Mass
184.2089632
Exact Mass
184.06882851
Charge
0
InChI
InChI=1S/C13H9F/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2
InChIKey
SAKIZQTUUCRVJG-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)Cc1c2cccc1
Isomeric Smiles
c12c3c(Cc1cc(cc2)F)cccc3
Calculated Properties
JChem
Acid pKa
17.147318
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.8817213
LogD (pH = 7.4)
3.8817213
Log P
3.8817213
Molar Refractivity
55.0898
Polarizability
22.003328
Polar Surface Area
0.0
Rotatable Bonds
0
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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