Molecule

ID:41620

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃ClN₂O₄
Molecular Mass
308.71702
Exact Mass
308.05638459
Charge
0
InChI
InChI=1S/C14H13ClN2O4/c1-3-20-14(19)12-11(8(2)21-17-12)13(18)16-10-6-4-9(15)5-7-10/h4-7H,3H2,1-2H3,(H,16,18)
InChIKey
WMOOOFRTGANMKG-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1noc(c1C(=O)Nc1ccc(cc1)Cl)C
Isomeric Smiles
c1(c(noc1C)C(=O)OCC)C(=O)Nc1ccc(Cl)cc1
Calculated Properties
JChem
Acid pKa
9.842623
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.7793984
LogD (pH = 7.4)
2.7779307
Log P
2.7794173
Molar Refractivity
79.3899
Polarizability
28.961113
Polar Surface Area
81.43
Rotatable Bonds
5
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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