Molecule

ID:27178

General Information
Structure
MolImage
Molecular Formula
C₈H₈Cl₂N₂O₂
Molecular Mass
235.06732
Exact Mass
233.99628287
Charge
0
InChI
InChI=1S/C8H8Cl2N2O2/c9-5-1-2-7(6(10)3-5)14-4-8(13)12-11/h1-3H,4,11H2,(H,12,13)
InChIKey
OEYOIIKYUVBUJN-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)COc1ccc(cc1Cl)Cl
Isomeric Smiles
C(=O)(NN)COc1c(cc(cc1)Cl)Cl
Calculated Properties
JChem
Acid pKa
10.190403
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.3967892
LogD (pH = 7.4)
1.3975742
Log P
1.3982289
Molar Refractivity
54.5217
Polarizability
21.20515
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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