Molecule

ID:105857

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄N₂O₁₀
Molecular Mass
380.34776
Exact Mass
380.14309498
Charge
0
InChI
InChI=1S/C14H24N2O10/c17-11(18)7-15(8-12(19)20)1-3-25-5-6-26-4-2-16(9-13(21)22)10-14(23)24/h1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChIKey
DEFVIWRASFVYLL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN(CC(=O)O)CCOCCOCCN(CC(=O)O)CC(=O)O
Isomeric Smiles
OC(=O)CN(CCOCCOCCN(CC(=O)O)CC(=O)O)CC(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-14.89
LogD (pH = 5.5)
-8.67
Log P
-2.73
Rotatable Bonds
17
H Donor
4
H Acceptors
12
Lipinski's Rule of Five
false
Acid pKa
2.26
Polar Surface Area
174.14
Polarizability
37.33
Molar Refractivity
84.43
LOG S
0.58
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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