Molecule

ID:64774

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈Cl₂N₂O₃
Molecular Mass
287.09882
Exact Mass
285.99119749
Charge
0
InChI
InChI=1S/C11H8Cl2N2O3/c1-2-18-11(17)9-10(16)15-8-4-6(13)5(12)3-7(8)14-9/h3-4H,2H2,1H3,(H,15,16)
InChIKey
HVUUAJYWVAZYAU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nc2cc(Cl)c(cc2nc1O)Cl
Isomeric Smiles
c1(c(cc2c(c1)nc(c(n2)O)C(=O)OCC)Cl)Cl
Calculated Properties
JChem
Acid pKa
11.562793
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.9941947
LogD (pH = 7.4)
3.994166
Log P
3.9941952
Molar Refractivity
65.7563
Polarizability
26.799698
Polar Surface Area
72.31
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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