Molecule

ID:43783

General Information
Structure
MolImage
Molecular Formula
C₇H₅Cl₂NO₂
Molecular Mass
206.0261
Exact Mass
204.96973377
Charge
0
InChI
InChI=1S/C7H5Cl2NO2/c1-12-7(11)5-4(8)2-3-10-6(5)9/h2-3H,1H3
InChIKey
IBZIEMCFERTPNR-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1c(Cl)ccnc1Cl
Isomeric Smiles
c1(C(=O)OC)c(nccc1Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1873167
LogD (pH = 7.4)
2.187317
Log P
2.187317
Molar Refractivity
46.5973
Polarizability
17.858198
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
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References
Bioactivity
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