Molecule

ID:40082

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈F₃NO
Molecular Mass
225.2512296
Exact Mass
225.13404886
Charge
0
InChI
InChI=1S/C10H18F3NO/c1-14(7-9(15)10(11,12)13)8-5-3-2-4-6-8/h8-9,15H,2-7H2,1H3
InChIKey
NKYCUDIAVZBMPB-UHFFFAOYSA-N
Canonic Smiles
OC(C(F)(F)F)CN(C1CCCCC1)C
Isomeric Smiles
C(CN(C1CCCCC1)C)(O)C(F)(F)F
Calculated Properties
JChem
Acid pKa
11.088738
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.65508497
LogD (pH = 7.4)
1.0691463
Log P
2.3142014
Molar Refractivity
52.4149
Polarizability
19.891817
Polar Surface Area
23.47
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
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Molecule Details
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References
Bioactivity
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