Molecule

ID:80286

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂ClNO₃
Molecular Mass
265.69228
Exact Mass
265.05057093
Charge
0
InChI
InChI=1S/C13H12ClNO3/c1-3-18-13(17)10-11(14)8-6-4-5-7-9(8)15(2)12(10)16/h4-7H,3H2,1-2H3
InChIKey
XUJQDJGGHFNYDY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(Cl)c2ccccc2n(c1=O)C
Isomeric Smiles
n1(c(=O)c(c(c2ccccc12)Cl)C(=O)OCC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.93855
LogD (pH = 7.4)
1.93855
Log P
1.93855
Molar Refractivity
68.7033
Polarizability
26.15461
Polar Surface Area
46.61
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
References
Bioactivity
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