Molecule

ID:27049

General Information
Structure
MolImage
Molecular Formula
C₉H₉ClFNO
Molecular Mass
201.6252632
Exact Mass
201.03566981
Charge
0
InChI
InChI=1S/C9H9ClFNO/c10-5-9(13)12-6-7-3-1-2-4-8(7)11/h1-4H,5-6H2,(H,12,13)
InChIKey
XOVDAXFGBGURQF-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)NCc1ccccc1F
Isomeric Smiles
c1(CNC(=O)CCl)c(F)cccc1
Calculated Properties
JChem
Acid pKa
11.956854
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.5979065
LogD (pH = 7.4)
1.597896
Log P
1.5979066
Molar Refractivity
48.9448
Polarizability
18.624716
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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