Molecule

ID:28262

General Information
Structure
Molecular Formula
C₁₀H₁₁ClFNO
Molecular Mass
215.6518432
Exact Mass
215.05131988
Charge
0
InChI
InChI=1S/C10H11ClFNO/c1-7-2-3-8(12)9(6-7)13-10(14)4-5-11/h2-3,6H,4-5H2,1H3,(H,13,14)
InChIKey
XGFSIKYRHDIMRU-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(NC(=O)CCCl)c(cc1)F
Isomeric Smiles
c1(NC(=O)CCCl)c(ccc(c1)C)F
Calculated Properties
JChem
Acid pKa
11.939
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.6414359
LogD (pH = 7.4)
2.6414242
Log P
2.641436
Molar Refractivity
55.6312
Polarizability
20.364952
Polar Surface Area
29.1
Rotatable Bonds
3
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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