Molecule

ID:65591

General Information
Structure
MolImage
Molecular Formula
C₇H₅Cl₂NO₂
Molecular Mass
206.0261
Exact Mass
204.96973377
Charge
0
InChI
InChI=1S/C7H5Cl2NO2/c1-12-6-4(3-11)5(8)2-10-7(6)9/h2-3H,1H3
InChIKey
NWRASMAEBDJTOV-UHFFFAOYSA-N
Canonic Smiles
COc1c(Cl)ncc(c1C=O)Cl
Isomeric Smiles
c1(cnc(c(c1C=O)OC)Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.738671
LogD (pH = 7.4)
1.738671
Log P
1.738671
Molar Refractivity
47.6192
Polarizability
17.85648
Polar Surface Area
39.19
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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