Molecule

ID:95343

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆Cl₂F₂N₂O₂
Molecular Mass
295.0696464
Exact Mass
293.97743924
Charge
0
InChI
InChI=1S/C10H6Cl2F2N2O2/c11-6(9(12)10(17)18)4-15-16-8-2-1-5(13)3-7(8)14/h1-4,16H,(H,17,18)
InChIKey
JVSAIQZRMWSIHM-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)F)N/N=C/C(=C(/C(=O)O)\Cl)/Cl
Isomeric Smiles
N(=C\C(=C(\C(=O)O)/Cl)\Cl)/Nc1ccc(cc1F)F
Calculated Properties
JChem
Acid pKa
2.981199
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.48576534
LogD (pH = 7.4)
-0.49977922
Log P
2.8094165
Molar Refractivity
65.4347
Polarizability
23.291542
Polar Surface Area
61.69
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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