Molecule

ID:56248

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃ClN₂O₄
Molecular Mass
320.72772
Exact Mass
320.05638459
Charge
0
InChI
InChI=1S/C15H13ClN2O4/c1-2-21-15(20)10-4-3-7-18-14(10)22-12-6-5-9(16)8-11(12)13(17)19/h3-8H,2H2,1H3,(H2,17,19)
InChIKey
WQUABOQVFAELIX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cccnc1Oc1ccc(cc1C(=O)N)Cl
Isomeric Smiles
c1(c(Oc2c(C(=O)OCC)cccn2)ccc(c1)Cl)C(=O)N
Calculated Properties
JChem
Molar Refractivity
81.1125
Polarizability
30.810951
Polar Surface Area
91.51
Rotatable Bonds
6
Lipinski's Rule of Five
true
Acid pKa
13.002121
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.665285
LogD (pH = 7.4)
2.665289
Log P
2.665288
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
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References
Bioactivity
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