Molecule

ID:93548

General Information
Structure
MolImage
Molecular Formula
C₁₃H₇F₉N₂
Molecular Mass
362.1937088
Exact Mass
362.04655221
Charge
0
InChI
InChI=1S/C13H7F9N2/c14-10(15,11(16,17)12(18,19)13(20,21)22)9-6-8(23-24-9)7-4-2-1-3-5-7/h1-6H,(H,23,24)
InChIKey
SVXMNQVFCJCBTQ-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(F)(F)F)(F)F)(F)F)(c1cc([nH]n1)c1ccccc1)F
Isomeric Smiles
FC(C(C(C(c1n[nH]c(c1)c1ccccc1)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
12.963992
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.2102785
LogD (pH = 7.4)
5.210282
Log P
5.2102833
Molar Refractivity
64.3648
Polarizability
24.025341
Polar Surface Area
28.68
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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