Molecule

ID:7449

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClFO₂
Molecular Mass
174.5568632
Exact Mass
173.98838527
Charge
0
InChI
InChI=1S/C7H4ClFO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11)
InChIKey
PKTSBFXIHLYGEY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(c(c1)Cl)F
Isomeric Smiles
c1c(c(cc(c1)C(=O)O)Cl)F
Calculated Properties
JChem
Acid pKa
4.0602293
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9258261
LogD (pH = 7.4)
-0.7459364
Log P
2.3775754
Molar Refractivity
38.3354
Polarizability
14.409292
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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