Molecule

ID:40037

General Information
Structure
MolImage
Molecular Formula
C₆H₅ClFNO
Molecular Mass
161.5614032
Exact Mass
161.00436969
Charge
0
InChI
InChI=1S/C6H5ClFNO/c7-3-1-4(8)5(9)2-6(3)10/h1-2,10H,9H2
InChIKey
AFZLCOLNTRPSIF-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(Cl)c(cc1N)O
Isomeric Smiles
c1c(c(cc(c1Cl)O)N)F
Calculated Properties
JChem
Acid pKa
7.896053
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.5857425
LogD (pH = 7.4)
1.4681321
Log P
1.5875012
Molar Refractivity
37.7605
Polarizability
13.762282
Polar Surface Area
46.25
Rotatable Bonds
0
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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