Molecule

ID:83172

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈ClNO₃
Molecular Mass
237.63912
Exact Mass
237.0192708
Charge
0
InChI
InChI=1S/C11H8ClNO3/c1-15-8-4-2-7(3-5-8)10-9(11(12)14)13-6-16-10/h2-6H,1H3
InChIKey
PPOMWXKXWCMFNJ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1ocnc1C(=O)Cl
Isomeric Smiles
n1coc(c1C(=O)Cl)c1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9014553
LogD (pH = 7.4)
1.9014553
Log P
1.9014553
Molar Refractivity
58.987
Polarizability
23.564283
Polar Surface Area
52.33
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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