Molecule

ID:120414

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉Cl₂NO₂
Molecular Mass
270.11136
Exact Mass
269.00103389
Charge
0
InChI
InChI=1S/C12H9Cl2NO2/c1-2-17-12(16)9-10(13)7-5-3-4-6-8(7)15-11(9)14/h3-6H,2H2,1H3
InChIKey
ULBLITMQCMVRMY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(Cl)nc2c(c1Cl)cccc2
Isomeric Smiles
c1(c(nc2c(c1Cl)cccc2)Cl)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.919452
LogD (pH = 7.4)
3.919452
Log P
3.919452
Molar Refractivity
67.4241
Polarizability
27.070204
Polar Surface Area
39.19
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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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