Molecule

ID:21672

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂O₆
Molecular Mass
314.33428
Exact Mass
314.14778643
Charge
0
InChI
InChI=1S/C14H22N2O6/c1-2-8-22-13(20)9-10-14(21)15-6-7-16(10)11(17)4-3-5-12(18)19/h10H,2-9H2,1H3,(H,15,21)(H,18,19)
InChIKey
LEJQKBWHZBPLPW-UHFFFAOYSA-N
Canonic Smiles
CCCOC(=O)CC1C(=O)NCCN1C(=O)CCCC(=O)O
Isomeric Smiles
N1(C(C(=O)NCC1)CC(=O)OCCC)C(=O)CCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.000939
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-2.1467228
LogD (pH = 7.4)
-3.7966712
Log P
-0.6381362
Molar Refractivity
75.1591
Polarizability
29.675533
Polar Surface Area
113.01
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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