Molecule

ID:82074

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆N₂O₄
Molecular Mass
310.38864
Exact Mass
310.18925732
Charge
0
InChI
InChI=1S/C16H26N2O4/c1-2-22-16(21)15(20)18-10-8-13(9-11-18)17-14(19)12-6-4-3-5-7-12/h12-13H,2-11H2,1H3,(H,17,19)
InChIKey
GTWLBEQCPYFWNC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=O)N1CCC(CC1)NC(=O)C1CCCCC1
Isomeric Smiles
N1(C(=O)C(=O)OCC)CCC(NC(=O)C2CCCCC2)CC1
Calculated Properties
JChem
Acid pKa
15.588847
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2562081
LogD (pH = 7.4)
1.2562197
Log P
1.2562199
Molar Refractivity
81.5997
Polarizability
31.977997
Polar Surface Area
75.71
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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