Molecule

ID:7153

General Information
Structure
Molecular Formula
C₇H₅ClFNO
Molecular Mass
173.5721032
Exact Mass
173.00436969
Charge
0
InChI
InChI=1S/C7H5ClFNO/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H2,10,11)
InChIKey
KGTCFPJGIYHDRZ-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1cccc(c1F)Cl
Isomeric Smiles
c1cc(c(c(c1)C(=O)N)F)Cl
Calculated Properties
JChem
Acid pKa
12.4665785
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.5706327
LogD (pH = 7.4)
1.570636
Log P
1.5706327
Molar Refractivity
40.1576
Polarizability
14.866751
Polar Surface Area
43.09
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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