Molecule

ID:85883

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉Cl₂N₃O₂
Molecular Mass
286.11406
Exact Mass
285.0071819
Charge
0
InChI
InChI=1S/C11H9Cl2N3O2/c1-2-18-11(17)9-10(13)16(15-14-9)8-5-3-7(12)4-6-8/h3-6H,2H2,1H3
InChIKey
KKPWEXBXZHTZFB-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nnn(c1Cl)c1ccc(cc1)Cl
Isomeric Smiles
n1(c2ccc(cc2)Cl)c(c(nn1)C(=O)OCC)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.1474237
LogD (pH = 7.4)
3.1474237
Log P
3.1474237
Molar Refractivity
68.7893
Polarizability
26.703981
Polar Surface Area
57.01
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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