Molecule

ID:100648

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉F₂N
Molecular Mass
229.2247664
Exact Mass
229.07030573
Charge
0
InChI
InChI=1S/C14H9F2N/c15-11-6-5-10(7-12(11)16)14-8-9-3-1-2-4-13(9)17-14/h1-8,17H
InChIKey
KCJSNAZSJSHQCC-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1F)c1cc2c([nH]1)cccc2
Isomeric Smiles
[nH]1c2c(cccc2)cc1c1ccc(c(c1)F)F
Calculated Properties
JChem
Acid pKa
15.056802
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
3.9246383
LogD (pH = 7.4)
3.9246383
Log P
3.9246383
Molar Refractivity
62.591
Polarizability
25.776772
Polar Surface Area
15.79
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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