Molecule

ID:133508

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₆N₂O₆
Molecular Mass
438.47304
Exact Mass
438.17908656
Charge
0
InChI
InChI=1S/C24H26N2O6/c1-2-3-16-24(17-32-21(29)15-14-20(27)28)22(30)25(18-10-6-4-7-11-18)26(23(24)31)19-12-8-5-9-13-19/h4-13H,2-3,14-17H2,1H3,(H,27,28)
InChIKey
ONWXNHPOAGOMTG-UHFFFAOYSA-N
Canonic Smiles
CCCCC1(COC(=O)CCC(=O)O)C(=O)N(N(C1=O)c1ccccc1)c1ccccc1
Isomeric Smiles
CCCCC1(C(=O)N(N(C1=O)c1ccccc1)c1ccccc1)COC(=O)CCC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
0.36
LogD (pH = 5.5)
1.85
Log P
3.68
Rotatable Bonds
11
H Donor
1
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
3.67
Polar Surface Area
104.22
Polarizability
45.60
Molar Refractivity
115.08
LOG S
-4.34
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
References
Bioactivity
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