Molecule

ID:95279

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀BrClF₃NO
Molecular Mass
344.5554096
Exact Mass
342.95863829
Charge
0
InChI
InChI=1S/C11H10BrClF3NO/c12-7-3-4-9(8(6-7)11(14,15)16)17-10(18)2-1-5-13/h3-4,6H,1-2,5H2,(H,17,18)
InChIKey
SWLMNORTQHPCNA-UHFFFAOYSA-N
Canonic Smiles
ClCCCC(=O)Nc1ccc(cc1C(F)(F)F)Br
Isomeric Smiles
N(c1ccc(cc1C(F)(F)F)Br)C(=O)CCCCl
Calculated Properties
JChem
Acid pKa
12.810058
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.920575
LogD (pH = 7.4)
3.9205735
Log P
3.9205751
Molar Refractivity
68.7251
Polarizability
25.07665
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
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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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