Molecule
ID:80289
General Information
Molecular Formula
C₁₅H₁₄ClNO₃
Molecular Mass
291.72956
Exact Mass
291.06622099
Charge
0
InChI
InChI=1S/C15H14ClNO3/c1-2-20-15(19)11-12(16)10-7-3-5-9-6-4-8-17(13(9)10)14(11)18/h3,5,7H,2,4,6,8H2,1H3
InChIKey
DFYVMTDLQOBQAE-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(Cl)c2cccc3c2n(c1=O)CCC3
Isomeric Smiles
n12c(=O)c(c(c3cccc(c13)CCC2)Cl)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.423007
LogD (pH = 7.4)
2.423007
Log P
2.423007
Molar Refractivity
76.6139
Polarizability
29.09968
Polar Surface Area
46.61
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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