Molecule

ID:100235

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁ClF₃NO₂
Molecular Mass
281.6587496
Exact Mass
281.04304094
Charge
0
InChI
InChI=1S/C11H11ClF3NO2/c12-9-7-8(16-3-5-17-6-4-16)1-2-10(9)18-11(13,14)15/h1-2,7H,3-6H2
InChIKey
LNOLTCOAJVTAFF-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(ccc1OC(F)(F)F)N1CCOCC1
Isomeric Smiles
O(c1c(cc(cc1)N1CCOCC1)Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.8979447
LogD (pH = 7.4)
3.8979454
Log P
3.8979454
Molar Refractivity
57.4362
Polarizability
22.730955
Polar Surface Area
21.7
Rotatable Bonds
3
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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