Molecule

ID:86204

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀Cl₂N₂O₃
Molecular Mass
313.1361
Exact Mass
312.00684755
Charge
0
InChI
InChI=1S/C13H10Cl2N2O3/c1-2-20-13(19)8-3-5-9(6-4-8)17-12(18)11(15)10(14)7-16-17/h3-7H,2H2,1H3
InChIKey
BHJNVIXRXGBUMD-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(cc1)n1ncc(c(c1=O)Cl)Cl
Isomeric Smiles
n1(c2ccc(cc2)C(=O)OCC)c(=O)c(c(Cl)cn1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.010518
LogD (pH = 7.4)
3.010518
Log P
3.010518
Molar Refractivity
76.9917
Polarizability
28.724304
Polar Surface Area
58.97
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
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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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