Molecule

ID:22315

General Information
Structure
MolImage
Molecular Formula
C₇H₅Cl₂NO₂
Molecular Mass
206.0261
Exact Mass
204.96973377
Charge
0
InChI
InChI=1S/C7H5Cl2NO2/c1-12-6-3-4(7(9)11)2-5(8)10-6/h2-3H,1H3
InChIKey
RITCMXVSFUDYGY-UHFFFAOYSA-N
Canonic Smiles
COc1nc(Cl)cc(c1)C(=O)Cl
Isomeric Smiles
n1c(cc(C(=O)Cl)cc1OC)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.207494
LogD (pH = 7.4)
2.207494
Log P
2.207494
Molar Refractivity
47.6586
Polarizability
17.800192
Polar Surface Area
39.19
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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