Molecule

ID:70293

General Information
Structure
Molecular Formula
C₁₅H₂₆N₂O₆
Molecular Mass
330.37674
Exact Mass
330.17908656
Charge
0
InChI
InChI=1S/C15H26N2O6/c1-14(2,3)22-12(20)16-7-8-17(10(9-16)11(18)19)13(21)23-15(4,5)6/h10H,7-9H2,1-6H3,(H,18,19)
InChIKey
IIZGWFQKLVCLLA-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCN(C(C1)C(=O)O)C(=O)OC(C)(C)C)OC(C)(C)C
Isomeric Smiles
N1(C(CN(CC1)C(=O)OC(C)(C)C)C(=O)O)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
3.9089358
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.06956452
LogD (pH = 7.4)
-1.6814328
Log P
1.5275189
Molar Refractivity
81.2689
Polarizability
32.09857
Polar Surface Area
96.38
Rotatable Bonds
5
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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