Molecule

ID:52769

General Information
Structure
MolImage
Molecular Formula
C₆H₆ClNO₃
Molecular Mass
175.56974
Exact Mass
175.00362074
Charge
0
InChI
InChI=1S/C6H6ClNO3/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3
InChIKey
SYWQOPRAPDMWMC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1coc(n1)Cl
Isomeric Smiles
c1(coc(n1)Cl)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3752868
LogD (pH = 7.4)
1.3752868
Log P
1.3752868
Molar Refractivity
38.1952
Polarizability
14.8128195
Polar Surface Area
52.33
Rotatable Bonds
3
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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