Molecule

ID:124804

General Information
Structure
Molecular Formula
C₈H₄ClFN₂O₂
Molecular Mass
214.5809632
Exact Mass
213.99453328
Charge
0
InChI
InChI=1S/C8H4ClFN2O2/c9-4-1-2-5-11-6(8(13)14)7(10)12(5)3-4/h1-3H,(H,13,14)
InChIKey
ALODLZLCVTUQQF-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2n(c1)c(F)c(n2)C(=O)O
Isomeric Smiles
c1(c(n2c(n1)ccc(c2)Cl)F)C(=O)O
Calculated Properties
JChem
Acid pKa
4.0649624
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.10149378
LogD (pH = 7.4)
-1.7368097
Log P
1.2637897
Molar Refractivity
47.7963
Polarizability
17.442451
Polar Surface Area
54.6
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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