Molecule

ID:96283

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁ClF₃NO
Molecular Mass
229.6272496
Exact Mass
229.04812632
Charge
0
InChI
InChI=1S/C8H11ClF3NO/c9-6(8(10,11)12)7(14)13-4-2-1-3-5-13/h6H,1-5H2
InChIKey
NWQXWYSHSAXLIU-UHFFFAOYSA-N
Canonic Smiles
ClC(C(F)(F)F)C(=O)N1CCCCC1
Isomeric Smiles
N1(C(=O)C(C(F)(F)F)Cl)CCCCC1
Calculated Properties
JChem
Acid pKa
7.9789877
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9703885
LogD (pH = 7.4)
1.8703033
Log P
1.9718263
Molar Refractivity
46.3499
Polarizability
17.408644
Polar Surface Area
20.31
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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