Molecule

ID:99923

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉F₆N
Molecular Mass
257.1755792
Exact Mass
257.06391861
Charge
0
InChI
InChI=1S/C10H9F6N/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-5H,17H2,1H3/t5-/m1/s1
InChIKey
PFVWEAYXWZFSSK-RXMQYKEDSA-N
Canonic Smiles
C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N
Isomeric Smiles
FC(c1cc(cc(c1)[C@@H](C)N)C(F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.28297505
LogD (pH = 7.4)
1.2188541
Log P
3.2712862
Molar Refractivity
50.8976
Polarizability
18.147049
Polar Surface Area
26.02
Rotatable Bonds
3
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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