Molecule

ID:86409

General Information
Structure
Molecular Formula
C₁₁H₁₀Cl₂N₂O₄
Molecular Mass
305.1141
Exact Mass
304.00176217
Charge
0
InChI
InChI=1S/C11H10Cl2N2O4/c1-2-18-10(16)11(17)19-15-9(14)8-6(12)4-3-5-7(8)13/h3-5H,2H2,1H3,(H2,14,15)
InChIKey
JWOGCAVAODPCNB-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)O/N=C(/c1c(Cl)cccc1Cl)\N
Isomeric Smiles
N(=C(\c1c(cccc1Cl)Cl)/N)/OC(=O)C(=O)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.1704454
LogD (pH = 7.4)
3.1704774
Log P
3.1704776
Molar Refractivity
69.1539
Polarizability
26.908907
Polar Surface Area
90.98
Rotatable Bonds
6
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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