Molecule

ID:102866

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₇NO₄
Molecular Mass
297.38988
Exact Mass
297.19400835
Charge
0
InChI
InChI=1S/C16H27NO4/c1-2-3-4-5-6-7-8-9-10-11-16(20)21-17-14(18)12-13-15(17)19/h2-13H2,1H3
InChIKey
LRKGVVJOUNKTGG-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
Isomeric Smiles
CCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
Calculated Properties
JChem
Acid pKa
17.709124
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.8478935
LogD (pH = 7.4)
3.8478935
Log P
3.8478935
Molar Refractivity
79.2334
Polarizability
31.542976
Polar Surface Area
63.68
Rotatable Bonds
12
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
No Data Available
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Molecule Details
References
Bioactivity
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