Molecule

ID:55071

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀Cl₂N₂O₂
Molecular Mass
225.0725
Exact Mass
224.01193293
Charge
0
InChI
InChI=1S/C7H8N2O2.2ClH/c1-11-6(8)5-3-2-4-9-7(5)10;;/h2-4,8H,1H3,(H,9,10);2*1H
InChIKey
SLDAFAQTERMUAB-UHFFFAOYSA-N
Canonic Smiles
COC(=N)c1ccc[nH]c1=O.Cl.Cl
Isomeric Smiles
c1c[nH]c(=O)c(c1)C(=N)OC.Cl.Cl
Calculated Properties
JChem
Acid pKa
10.833087
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.4255022
LogD (pH = 7.4)
-0.045053452
Log P
-0.037072774
Molar Refractivity
51.6296
Polarizability
15.071952
Polar Surface Area
62.18
Rotatable Bonds
2
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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