Molecule

ID:36289

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₄N₂O₆
Molecular Mass
388.41436
Exact Mass
388.1634365
Charge
0
InChI
InChI=1S/C20H24N2O6/c1-26-16-7-5-15(6-8-16)22(13-20(24)25)12-19(23)21-11-14-4-9-17(27-2)18(10-14)28-3/h4-10H,11-13H2,1-3H3,(H,21,23)(H,24,25)
InChIKey
LWSHYAZHBJJUDW-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)N(CC(=O)O)CC(=O)NCc1ccc(c(c1)OC)OC
Isomeric Smiles
N(CC(=O)NCc1cc(c(cc1)OC)OC)(CC(=O)O)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
3.8473852
H Acceptors
7
H Donor
2
LogD (pH = 5.5)
0.049004756
LogD (pH = 7.4)
-1.5345296
Log P
1.7054491
Molar Refractivity
103.3769
Polarizability
39.591274
Polar Surface Area
97.33
Rotatable Bonds
10
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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