Molecule

ID:20256

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂F₃NO
Molecular Mass
219.2035896
Exact Mass
219.08709867
Charge
0
InChI
InChI=1S/C10H12F3NO/c1-2-5-15-7-3-4-9(14)8(6-7)10(11,12)13/h3-4,6H,2,5,14H2,1H3
InChIKey
VDBYZLYKRUPIFO-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(c(c1)C(F)(F)F)N
Isomeric Smiles
c1(C(F)(F)F)c(ccc(c1)OCCC)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.742291
LogD (pH = 7.4)
2.743808
Log P
2.7438273
Molar Refractivity
52.4679
Polarizability
18.815262
Polar Surface Area
35.25
Rotatable Bonds
4
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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