Molecule

ID:13674

General Information
Structure
MolImage
Molecular Formula
C₉H₉Cl₂NO₂
Molecular Mass
234.07926
Exact Mass
233.00103389
Charge
0
InChI
InChI=1S/C9H9Cl2NO2/c1-3-14-9(13)7-6(10)4-5(2)12-8(7)11/h4H,3H2,1-2H3
InChIKey
ZNFJVVLTQSOWJY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(Cl)cc(nc1Cl)C
Isomeric Smiles
c1c(nc(c(c1Cl)C(=O)OCC)Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6754942
LogD (pH = 7.4)
2.675495
Log P
2.675495
Molar Refractivity
55.9374
Polarizability
21.420525
Polar Surface Area
39.19
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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