Molecule

ID:34292

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁NO₅
Molecular Mass
319.35234
Exact Mass
319.14197278
Charge
0
InChI
InChI=1S/C17H21NO5/c1-2-3-4-7-12-23-17(22)13-8-5-6-9-14(13)18-15(19)10-11-16(20)21/h5-6,8-11H,2-4,7,12H2,1H3,(H,18,19)(H,20,21)/b11-10-
InChIKey
JMEULZSEFYXSMX-KHPPLWFESA-N
Canonic Smiles
CCCCCCOC(=O)c1ccccc1NC(=O)/C=C\C(=O)O
Isomeric Smiles
c1ccc(c(c1)C(=O)OCCCCCC)NC(=O)/C=C\C(=O)O
Calculated Properties
JChem
Acid pKa
2.6885126
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.5237999
LogD (pH = 7.4)
0.75808233
Log P
4.259901
Molar Refractivity
87.9852
Polarizability
32.825356
Polar Surface Area
92.7
Rotatable Bonds
10
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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