Molecule

ID:36309

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₀Cl₂N₂O₄
Molecular Mass
411.2791
Exact Mass
410.08001249
Charge
0
InChI
InChI=1S/C19H20Cl2N2O4/c1-27-16-6-4-15(5-7-16)23(12-19(25)26)11-18(24)22-9-8-13-2-3-14(20)10-17(13)21/h2-7,10H,8-9,11-12H2,1H3,(H,22,24)(H,25,26)
InChIKey
ZPXJFMSGJCYRJS-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)N(CC(=O)O)CC(=O)NCCc1ccc(cc1Cl)Cl
Isomeric Smiles
N(CC(=O)NCCc1c(cc(cc1)Cl)Cl)(CC(=O)O)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
3.8827367
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.8952031
LogD (pH = 7.4)
0.29511747
Log P
3.5175421
Molar Refractivity
104.8151
Polarizability
40.17202
Polar Surface Area
78.87
Rotatable Bonds
9
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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