Molecule

ID:9263

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃F₃IN
Molecular Mass
331.1165996
Exact Mass
331.00448208
Charge
0
InChI
InChI=1S/C10H13F3N.HI/c1-14(2,3)9-6-4-5-8(7-9)10(11,12)13;/h4-7H,1-3H3;1H/q+1;/p-1
InChIKey
VKZIUXSJJSEBAK-UHFFFAOYSA-M
Canonic Smiles
FC(c1cccc(c1)[N+](C)(C)C)(F)F.[I-]
Isomeric Smiles
c1cc(cc(c1)[N+](C)(C)C)C(F)(F)F.[I-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-1.0892015
LogD (pH = 7.4)
-1.0892015
Log P
-1.0892015
Molar Refractivity
61.653
Polarizability
18.341375
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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