Molecule

ID:118454

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂F₃NO
Molecular Mass
231.2142896
Exact Mass
231.08709867
Charge
0
InChI
InChI=1S/C11H12F3NO/c12-11(13,14)9-3-1-8(2-4-9)10-7-15-5-6-16-10/h1-4,10,15H,5-7H2
InChIKey
OMFWOWNSVWSVBC-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc(cc1)C1OCCNC1)(F)F
Isomeric Smiles
C(c1ccc(C2OCCNC2)cc1)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.2595454
LogD (pH = 7.4)
1.4746096
Log P
2.2507098
Molar Refractivity
54.0244
Polarizability
20.284662
Polar Surface Area
21.26
Rotatable Bonds
2
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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