Molecule

ID:56246

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₄ClNO₃
Molecular Mass
327.76166
Exact Mass
327.06622099
Charge
0
InChI
InChI=1S/C18H14ClNO3/c1-2-22-18(21)13-11-17(20-15-9-5-3-7-12(13)15)23-16-10-6-4-8-14(16)19/h3-11H,2H2,1H3
InChIKey
DIVAEMJSMCMNDT-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(Oc2ccccc2Cl)nc2c1cccc2
Isomeric Smiles
c1(C(=O)OCC)c2c(nc(Oc3c(Cl)cccc3)c1)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.189975
LogD (pH = 7.4)
5.189975
Log P
5.189975
Molar Refractivity
88.1123
Polarizability
35.423187
Polar Surface Area
48.42
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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