Molecule

ID:80926

General Information
Structure
MolImage
Molecular Formula
C₇H₅Cl₂NO₂
Molecular Mass
206.0261
Exact Mass
204.96973377
Charge
0
InChI
InChI=1S/C7H5Cl2NO2/c8-5-1-4(3-10-12)7(11)6(9)2-5/h1-3,11-12H
InChIKey
SHGLQTKOGKFLAS-UHFFFAOYSA-N
Canonic Smiles
O/N=C/c1cc(Cl)cc(c1O)Cl
Isomeric Smiles
N(=C\c1c(c(cc(c1)Cl)Cl)O)/O
Calculated Properties
JChem
Acid pKa
6.552469
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.5631282
LogD (pH = 7.4)
1.6948212
Log P
2.599752
Molar Refractivity
48.0542
Polarizability
18.073141
Polar Surface Area
52.82
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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