Molecule

ID:18995

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)12-6-7-1-3-8(11)4-2-7/h1-4H,5-6H2,(H,12,13)
InChIKey
KNOOZPRRCORIDE-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)NCc1ccc(cc1)F
Isomeric Smiles
C(=O)(NCc1ccc(F)cc1)CCl
Calculated Properties
JChem
Acid pKa
11.960403
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
18.624855
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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