Molecule

ID:36382

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₆N₂O₆
Molecular Mass
378.41954
Exact Mass
378.17908656
Charge
0
InChI
InChI=1S/C19H26N2O6/c1-3-27-19(25)14-8-10-20(11-9-14)17(22)12-21(13-18(23)24)15-4-6-16(26-2)7-5-15/h4-7,14H,3,8-13H2,1-2H3,(H,23,24)
InChIKey
QESVNQYGNVMRSG-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(CC1)C(=O)CN(c1ccc(cc1)OC)CC(=O)O
Isomeric Smiles
C(=O)(N1CCC(C(=O)OCC)CC1)CN(CC(=O)O)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
4.123865
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-0.29517993
LogD (pH = 7.4)
-1.9879783
Log P
1.0958072
Molar Refractivity
98.6342
Polarizability
37.928432
Polar Surface Area
96.38
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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