Molecule

ID:20186

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈F₃NO
Molecular Mass
261.2833296
Exact Mass
261.13404886
Charge
0
InChI
InChI=1S/C13H18F3NO/c1-3-4-9(2)8-18-12-6-5-10(17)7-11(12)13(14,15)16/h5-7,9H,3-4,8,17H2,1-2H3
InChIKey
SONLHIDNGQCQBL-UHFFFAOYSA-N
Canonic Smiles
CCCC(COc1ccc(cc1C(F)(F)F)N)C
Isomeric Smiles
c1(C(F)(F)F)c(OCC(CCC)C)ccc(c1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.9787073
LogD (pH = 7.4)
3.99769
Log P
3.9979377
Molar Refractivity
66.1415
Polarizability
24.246964
Polar Surface Area
35.25
Rotatable Bonds
6
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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