Molecule

ID:94453

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClFNO
Molecular Mass
173.5721032
Exact Mass
173.00436969
Charge
0
InChI
InChI=1S/C7H5ClFNO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)
InChIKey
KLOZZZNFJYMTNE-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1c(F)cccc1Cl
Isomeric Smiles
Clc1c(c(ccc1)F)C(=O)N
Calculated Properties
JChem
Acid pKa
11.6701765
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.5706329
LogD (pH = 7.4)
1.5706536
Log P
1.5706327
Molar Refractivity
40.1576
Polarizability
14.859604
Polar Surface Area
43.09
Rotatable Bonds
1
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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