Molecule

ID:96269

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃F₈N
Molecular Mass
287.1934456
Exact Mass
287.09202518
Charge
0
InChI
InChI=1S/C9H13F8N/c1-6(2,3)18-4-7(12,13)9(16,17)8(14,15)5(10)11/h5,18H,4H2,1-3H3
InChIKey
YDSAEWNTMYRFPF-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(CNC(C)(C)C)(F)F)(F)F)(F)F)F
Isomeric Smiles
FC(C(C(F)F)(F)F)(C(CNC(C)(C)C)(F)F)F
Calculated Properties
JChem
Acid pKa
19.790304
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.073737
LogD (pH = 7.4)
3.3233917
Log P
3.4293451
Molar Refractivity
47.0634
Polarizability
17.89228
Polar Surface Area
12.03
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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