Molecule

ID:118879

General Information
Structure
MolImage
Molecular Formula
C₉H₉ClFNO
Molecular Mass
201.6252632
Exact Mass
201.03566981
Charge
0
InChI
InChI=1S/C9H9ClFNO/c10-6-5-9(13)12-8-3-1-7(11)2-4-8/h1-4H,5-6H2,(H,12,13)
InChIKey
WXMWLNAPEHYULF-UHFFFAOYSA-N
Canonic Smiles
ClCCC(=O)Nc1ccc(cc1)F
Isomeric Smiles
C(=O)(Nc1ccc(F)cc1)CCCl
Calculated Properties
JChem
Acid pKa
14.400609
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.1280146
LogD (pH = 7.4)
2.1280146
Log P
2.1280146
Molar Refractivity
50.59
Polarizability
18.614115
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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