Molecule

ID:9546

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉F₆N
Molecular Mass
257.1755792
Exact Mass
257.06391861
Charge
0
InChI
InChI=1S/C10H9F6N/c1-2-17-8-4-6(9(11,12)13)3-7(5-8)10(14,15)16/h3-5,17H,2H2,1H3
InChIKey
WOIXGFNIYODSEA-UHFFFAOYSA-N
Canonic Smiles
CCNc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Isomeric Smiles
C(c1cc(C(F)(F)F)cc(c1)NCC)(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.547223
LogD (pH = 7.4)
3.5583847
Log P
3.558529
Molar Refractivity
52.9478
Polarizability
17.834574
Polar Surface Area
12.03
Rotatable Bonds
4
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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