Molecule

ID:45020

General Information
Structure
MolImage
Molecular Formula
C₆H₃ClFNO₂
Molecular Mass
175.5449232
Exact Mass
174.98363424
Charge
0
InChI
InChI=1S/C6H3ClFNO2/c7-5-1-3(6(10)11)4(8)2-9-5/h1-2H,(H,10,11)
InChIKey
MEDPACAROROBNJ-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(c(c1)C(=O)O)F
Isomeric Smiles
c1(cc(c(cn1)F)C(=O)O)Cl
Calculated Properties
JChem
Acid pKa
4.3695455
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.2203291
LogD (pH = 7.4)
-1.5312108
Log P
1.3800801
Molar Refractivity
37.2398
Polarizability
13.655467
Polar Surface Area
50.19
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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