Molecule

ID:7151

General Information
Structure
Molecular Formula
C₇H₄ClFO₂
Molecular Mass
174.5568632
Exact Mass
173.98838527
Charge
0
InChI
InChI=1S/C7H4ClFO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)
InChIKey
WGAVMKXCDMQVNF-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)C(=O)O)F
Isomeric Smiles
c1(ccc(c(c1)C(=O)O)F)Cl
Calculated Properties
JChem
Acid pKa
3.113208
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.019199023
LogD (pH = 7.4)
-1.0819308
Log P
2.3775754
Molar Refractivity
38.3354
Polarizability
14.383238
Polar Surface Area
37.3
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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