Molecule

ID:96189

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁ClF₃NO
Molecular Mass
265.6593496
Exact Mass
265.04812632
Charge
0
InChI
InChI=1S/C11H11ClF3NO/c12-6-2-5-10(17)16-9-4-1-3-8(7-9)11(13,14)15/h1,3-4,7H,2,5-6H2,(H,16,17)
InChIKey
CPTXFTGBNKACLC-UHFFFAOYSA-N
Canonic Smiles
ClCCCC(=O)Nc1cccc(c1)C(F)(F)F
Isomeric Smiles
N(c1cccc(c1)C(F)(F)F)C(=O)CCCCl
Calculated Properties
JChem
Acid pKa
13.93223
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.1518223
LogD (pH = 7.4)
3.1518223
Log P
3.1518223
Molar Refractivity
61.1023
Polarizability
21.963316
Polar Surface Area
29.1
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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