Molecule

ID:94668

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀F₅N
Molecular Mass
287.227916
Exact Mass
287.07334043
Charge
0
InChI
InChI=1S/C14H10F5N/c15-12-10(14(17,18)19)6-7-11(13(12)16)20-8-9-4-2-1-3-5-9/h1-7,20H,8H2
InChIKey
KOUXEXPIVJUPHW-UHFFFAOYSA-N
Canonic Smiles
Fc1c(NCc2ccccc2)ccc(c1F)C(F)(F)F
Isomeric Smiles
Fc1c(c(ccc1C(F)(F)F)NCc1ccccc1)F
Calculated Properties
JChem
Acid pKa
15.019477
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.3337
LogD (pH = 7.4)
4.333749
Log P
4.3337493
Molar Refractivity
67.2709
Polarizability
23.495293
Polar Surface Area
12.03
Rotatable Bonds
4
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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