Molecule

ID:64967

General Information
Structure
MolImage
Molecular Formula
C₆H₅ClFNO
Molecular Mass
161.5614032
Exact Mass
161.00436969
Charge
0
InChI
InChI=1S/C6H5ClFNO/c7-5-1-4(3-10)9-2-6(5)8/h1-2,10H,3H2
InChIKey
VYGKQYHESCOCGJ-UHFFFAOYSA-N
Canonic Smiles
OCc1ncc(c(c1)Cl)F
Isomeric Smiles
c1(cnc(cc1Cl)CO)F
Calculated Properties
JChem
Acid pKa
14.099039
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.81639266
LogD (pH = 7.4)
0.8164414
Log P
0.81644213
Molar Refractivity
35.216
Polarizability
13.611105
Polar Surface Area
33.12
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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