Molecule

ID:18252

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(6-8(9)14)10(11,12)13/h2-3,6H,4-5,14H2,1H3
InChIKey
VGEAZFFURBQABD-UHFFFAOYSA-N
Canonic Smiles
COCCOc1ccc(cc1N)C(F)(F)F
Isomeric Smiles
C(c1cc(c(cc1)OCCOC)N)(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.814836
LogD (pH = 7.4)
1.8174876
Log P
1.8175216
Molar Refractivity
54.2388
Polarizability
19.5958
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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