Molecule

ID:27174

General Information
Structure
MolImage
Molecular Formula
C₈H₈Cl₂N₂O₂
Molecular Mass
235.06732
Exact Mass
233.99628287
Charge
0
InChI
InChI=1S/C8H8Cl2N2O2/c9-5-1-2-6(10)7(3-5)14-4-8(13)12-11/h1-3H,4,11H2,(H,12,13)
InChIKey
FXZGNSHGNWUJOJ-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)COc1cc(Cl)ccc1Cl
Isomeric Smiles
C(=O)(NN)COc1cc(ccc1Cl)Cl
Calculated Properties
JChem
Acid pKa
10.525284
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.3967893
LogD (pH = 7.4)
1.3975765
Log P
1.3982289
Molar Refractivity
54.5217
Polarizability
21.207682
Polar Surface Area
64.35
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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