Molecule

ID:75825

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀ClNO₃
Molecular Mass
251.6657
Exact Mass
251.03492087
Charge
0
InChI
InChI=1S/C12H10ClNO3/c1-2-16-12(15)10-11(17-7-14-10)8-3-5-9(13)6-4-8/h3-7H,2H2,1H3
InChIKey
XAZCYGPJBWGQBW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ncoc1c1ccc(cc1)Cl
Isomeric Smiles
n1coc(c1C(=O)OCC)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8325436
LogD (pH = 7.4)
2.8325436
Log P
2.6325436
Molar Refractivity
62.9878
Polarizability
25.423601
Polar Surface Area
52.33
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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