Molecule

ID:40131

General Information
Structure
MolImage
Molecular Formula
C₈H₈Cl₂N₂O₂
Molecular Mass
235.06732
Exact Mass
233.99628287
Charge
0
InChI
InChI=1S/C8H8Cl2N2O2/c9-6-2-1-5(3-7(6)10)14-4-8(11)12-13/h1-3,13H,4H2,(H2,11,12)
InChIKey
LOYVQMVWXPXOIO-UHFFFAOYSA-N
Canonic Smiles
O/N=C(/COc1ccc(c(c1)Cl)Cl)\N
Isomeric Smiles
C(=N\O)(/COc1cc(c(cc1)Cl)Cl)\N
Calculated Properties
JChem
Acid pKa
8.172086
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.7592171
LogD (pH = 7.4)
1.6934959
Log P
1.7613511
Molar Refractivity
53.9814
Polarizability
21.14113
Polar Surface Area
67.84
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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