Molecule

ID:7609

General Information
Structure
Molecular Formula
C₇H₅ClFNO
Molecular Mass
173.5721032
Exact Mass
173.00436969
Charge
0
InChI
InChI=1S/C7H5ClFNO/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3H,(H2,10,11)
InChIKey
UKUUZRYASPJJOI-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)C(=O)N)Cl
Isomeric Smiles
c1(ccc(c(c1)C(=O)N)Cl)F
Calculated Properties
JChem
Acid pKa
12.5535755
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.5706326
LogD (pH = 7.4)
1.5706354
Log P
1.5706327
Molar Refractivity
40.1576
Polarizability
14.852697
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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