Molecule

ID:18249

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂F₃NO₂
Molecular Mass
235.2029896
Exact Mass
235.08201329
Charge
0
InChI
InChI=1S/C10H12F3NO2/c1-15-4-5-16-9-3-2-7(14)6-8(9)10(11,12)13/h2-3,6H,4-5,14H2,1H3
InChIKey
MTLLVZDLLCJHSE-UHFFFAOYSA-N
Canonic Smiles
COCCOc1ccc(cc1C(F)(F)F)N
Isomeric Smiles
c1(C(F)(F)F)c(ccc(c1)N)OCCOC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.801571
LogD (pH = 7.4)
1.817317
Log P
1.8175216
Molar Refractivity
54.2388
Polarizability
19.594643
Polar Surface Area
44.48
Rotatable Bonds
5
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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