Molecule

ID:116656

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClFNO₂
Molecular Mass
241.6460632
Exact Mass
241.03058443
Charge
0
InChI
InChI=1S/C11H9ClFNO2/c12-11(16)7-4-10(15)14(6-7)9-3-1-2-8(13)5-9/h1-3,5,7H,4,6H2
InChIKey
OTOXDWLCODITIJ-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C1CC(=O)N(C1)c1cccc(c1)F
Isomeric Smiles
N1(C(=O)CC(C1)C(=O)Cl)c1cc(F)ccc1
Calculated Properties
JChem
Acid pKa
16.535007
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3567088
LogD (pH = 7.4)
1.3567088
Log P
1.3567088
Molar Refractivity
57.093
Polarizability
21.736675
Polar Surface Area
37.38
Rotatable Bonds
2
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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