Molecule

ID:11316

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅NO₅
Molecular Mass
265.2619
Exact Mass
265.09502259
Charge
0
InChI
InChI=1S/C13H15NO5/c15-12(16)2-1-5-14-13(17)9-3-4-10-11(8-9)19-7-6-18-10/h3-4,8H,1-2,5-7H2,(H,14,17)(H,15,16)
InChIKey
SPMJCNVCTWWTOL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCNC(=O)c1ccc2c(c1)OCCO2
Isomeric Smiles
C(=O)(c1cc2c(OCCO2)cc1)NCCCC(=O)O
Calculated Properties
JChem
Acid pKa
3.5827641
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.3476676
LogD (pH = 7.4)
-2.7846384
Log P
0.564352
Molar Refractivity
66.5295
Polarizability
25.452572
Polar Surface Area
84.86
Rotatable Bonds
5
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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