Molecule

ID:39264

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁NO₄
Molecular Mass
279.33154
Exact Mass
279.14705816
Charge
0
InChI
InChI=1S/C15H21NO4/c1-15(2,3)20-14(19)16-12-9-5-4-7-11(12)8-6-10-13(17)18/h4-5,7,9H,6,8,10H2,1-3H3,(H,16,19)(H,17,18)
InChIKey
DCUBKGRYPOKYJL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCc1ccccc1NC(=O)OC(C)(C)C
Isomeric Smiles
c1ccc(c(c1)CCCC(=O)O)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.038958
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.9389764
LogD (pH = 7.4)
0.27479166
Log P
3.4110925
Molar Refractivity
76.8598
Polarizability
29.318548
Polar Surface Area
75.63
Rotatable Bonds
7
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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