Molecule

ID:23596

General Information
Structure
Molecular Formula
C₁₉H₂₀N₂O₄
Molecular Mass
340.3731
Exact Mass
340.14230713
Charge
0
InChI
InChI=1S/C19H20N2O4/c1-3-21(4-2)18(23)13-8-7-9-14(12-13)20-17(22)15-10-5-6-11-16(15)19(24)25/h5-12H,3-4H2,1-2H3,(H,20,22)(H,24,25)
InChIKey
WYROCURWOBTUSS-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)c1cccc(c1)NC(=O)c1ccccc1C(=O)O)CC
Isomeric Smiles
C(=O)(c1c(C(=O)O)cccc1)Nc1cc(C(=O)N(CC)CC)ccc1
Calculated Properties
JChem
Acid pKa
2.9104836
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.19072606
LogD (pH = 7.4)
-0.7501302
Log P
2.7343218
Molar Refractivity
97.2167
Polarizability
35.476597
Polar Surface Area
86.71
Rotatable Bonds
6
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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