Molecule

ID:17304

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅NO₅
Molecular Mass
265.2619
Exact Mass
265.09502259
Charge
0
InChI
InChI=1S/C13H15NO5/c1-18-9-3-4-10(11(6-9)19-2)14-7-8(13(16)17)5-12(14)15/h3-4,6,8H,5,7H2,1-2H3,(H,16,17)
InChIKey
MXNQXFPGGPZDQK-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)ccc1N1CC(CC1=O)C(=O)O
Isomeric Smiles
c1(N2CC(CC2=O)C(=O)O)c(cc(cc1)OC)OC
Calculated Properties
JChem
Acid pKa
3.5535398
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.574812
LogD (pH = 7.4)
-2.9933596
Log P
0.36533466
Molar Refractivity
65.9445
Polarizability
25.646069
Polar Surface Area
76.07
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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