Molecule

ID:88710

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉Cl₂NO₂
Molecular Mass
258.10066
Exact Mass
257.00103389
Charge
0
InChI
InChI=1S/C11H9Cl2NO2/c1-2-16-11(15)9-4-6-3-7(12)5-8(13)10(6)14-9/h3-5,14H,2H2,1H3
InChIKey
CJYGKZGQACYLTI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc2c([nH]1)c(Cl)cc(c2)Cl
Isomeric Smiles
[nH]1c2c(cc(cc2Cl)Cl)cc1C(=O)OCC
Calculated Properties
JChem
Acid pKa
10.096277
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.5603735
LogD (pH = 7.4)
3.5596173
Log P
3.5603833
Molar Refractivity
63.4055
Polarizability
25.579538
Polar Surface Area
42.09
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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