Molecule

ID:28249

General Information
Structure
Molecular Formula
C₁₀H₁₁ClFNO
Molecular Mass
215.6518432
Exact Mass
215.05131988
Charge
0
InChI
InChI=1S/C10H11ClFNO/c11-6-5-10(14)13-7-8-3-1-2-4-9(8)12/h1-4H,5-7H2,(H,13,14)
InChIKey
JTGWKGYKJXYCDY-UHFFFAOYSA-N
Canonic Smiles
ClCCC(=O)NCc1ccccc1F
Isomeric Smiles
C(=O)(NCc1c(F)cccc1)CCCl
Calculated Properties
JChem
Acid pKa
13.071484
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8349193
LogD (pH = 7.4)
1.8349185
Log P
1.8349193
Molar Refractivity
53.6442
Polarizability
20.444836
Polar Surface Area
29.1
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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