Molecule

ID:17544

General Information
Structure
Molecular Formula
C₁₅H₁₉NO₄
Molecular Mass
277.31566
Exact Mass
277.13140809
Charge
0
InChI
InChI=1S/C15H19NO4/c1-2-19-14-9-12(10-17)5-6-13(14)20-11-15(18)16-7-3-4-8-16/h5-6,9-10H,2-4,7-8,11H2,1H3
InChIKey
MUYOKPGMWNZAEE-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(C=O)ccc1OCC(=O)N1CCCC1
Isomeric Smiles
c1(c(ccc(c1)C=O)OCC(=O)N1CCCC1)OCC
Calculated Properties
JChem
Acid pKa
16.582253
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.2514039
LogD (pH = 7.4)
1.2514039
Log P
1.2514039
Molar Refractivity
75.5582
Polarizability
28.811672
Polar Surface Area
55.84
Rotatable Bonds
6
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
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Molecule Details
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References
Bioactivity
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