Molecule

ID:86840

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀Cl₂N₂O₂
Molecular Mass
297.1367
Exact Mass
296.01193293
Charge
0
InChI
InChI=1S/C13H10Cl2N2O2/c1-19-10-4-2-9(3-5-10)17-13(18)11-6-8(14)7-16-12(11)15/h2-7H,1H3,(H,17,18)
InChIKey
SZNQYTLRXYQSMB-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)NC(=O)c1cc(Cl)cnc1Cl
Isomeric Smiles
n1c(c(cc(c1)Cl)C(=O)Nc1ccc(cc1)OC)Cl
Calculated Properties
JChem
Acid pKa
10.8739
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.1180518
LogD (pH = 7.4)
3.117915
Log P
3.1180534
Molar Refractivity
76.5687
Polarizability
28.453175
Polar Surface Area
51.22
Rotatable Bonds
3
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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