Molecule

ID:24894

General Information
Structure
MolImage
Molecular Formula
C₇H₇ClF₂N₂O₂
Molecular Mass
224.5924864
Exact Mass
224.01641159
Charge
0
InChI
InChI=1S/C7H7ClF2N2O2/c1-3-5(8)6(7(9)10)11-12(3)2-4(13)14/h7H,2H2,1H3,(H,13,14)
InChIKey
PIZCTIAZNNVZBR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cn1nc(c(c1C)Cl)C(F)F
Isomeric Smiles
n1(nc(c(c1C)Cl)C(F)F)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.1189053
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1251383
LogD (pH = 7.4)
-2.2300425
Log P
1.2287393
Molar Refractivity
55.7308
Polarizability
16.766453
Polar Surface Area
55.12
Rotatable Bonds
3
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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