Molecule

ID:11308

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇NO₄
Molecular Mass
263.28908
Exact Mass
263.11575803
Charge
0
InChI
InChI=1S/C14H17NO4/c1-2-19-11-7-5-10(6-8-11)13(16)15-9-3-4-12(15)14(17)18/h5-8,12H,2-4,9H2,1H3,(H,17,18)
InChIKey
XBFYBYXKIUSYHL-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)C(=O)N1CCCC1C(=O)O
Isomeric Smiles
N1(C(=O)c2ccc(cc2)OCC)C(C(=O)O)CCC1
Calculated Properties
JChem
Acid pKa
3.2809486
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.63486654
LogD (pH = 7.4)
-1.8639673
Log P
1.566112
Molar Refractivity
69.5125
Polarizability
26.55591
Polar Surface Area
66.84
Rotatable Bonds
4
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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