Molecule

ID:21857

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₆N₂O₈
Molecular Mass
362.37554
Exact Mass
362.1689158
Charge
0
InChI
InChI=1S/C15H26N2O8/c1-22-12(18)8-10(14(20)24-3)16-6-5-7-17-11(15(21)25-4)9-13(19)23-2/h10-11,16-17H,5-9H2,1-4H3
InChIKey
GABDBYKEISNXIB-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(CC(=O)OC)NCCCNC(C(=O)OC)CC(=O)OC
Isomeric Smiles
C(C(=O)OC)C(C(=O)OC)NCCCNC(CC(=O)OC)C(=O)OC
Calculated Properties
JChem
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-2.064501
LogD (pH = 7.4)
-1.1443111
Log P
-1.1038747
Molar Refractivity
84.5874
Polarizability
34.666557
Polar Surface Area
129.26
Rotatable Bonds
16
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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