Molecule

ID:81633

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀Cl₃N₃O₃
Molecular Mass
326.5637
Exact Mass
324.97877424
Charge
0
InChI
InChI=1S/C10H10Cl3N3O3/c1-3-19-10(18)5-4-14-16(2)8(5)15-9(17)6(11)7(12)13/h4H,3H2,1-2H3,(H,15,17)
InChIKey
XEBPRFNLMGUDGV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnn(c1NC(=O)C(=C(Cl)Cl)Cl)C
Isomeric Smiles
N(c1c(cnn1C)C(=O)OCC)C(=O)C(=C(Cl)Cl)Cl
Calculated Properties
JChem
Acid pKa
11.756453
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.6379595
LogD (pH = 7.4)
2.6379476
Log P
2.637966
Molar Refractivity
95.6902
Polarizability
27.54017
Polar Surface Area
73.22
Rotatable Bonds
5
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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