Molecule

ID:23777

General Information
Structure
MolImage
Molecular Formula
C₆H₅ClFNO
Molecular Mass
161.5614032
Exact Mass
161.00436969
Charge
0
InChI
InChI=1S/C6H5ClFNO/c7-6-4(3-10)1-5(8)2-9-6/h1-2,10H,3H2
InChIKey
FYHQEGIVKQGQHC-UHFFFAOYSA-N
Canonic Smiles
OCc1cc(F)cnc1Cl
Isomeric Smiles
c1(cnc(c(c1)CO)Cl)F
Calculated Properties
JChem
Acid pKa
14.234208
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9551474
LogD (pH = 7.4)
0.9551473
Log P
0.9551474
Molar Refractivity
36.7995
Polarizability
13.641226
Polar Surface Area
33.12
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
No Data Available
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Molecule Details
References
Bioactivity
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