Molecule

ID:38477

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₅NO₄
Molecular Mass
259.3419
Exact Mass
259.17835829
Charge
0
InChI
InChI=1S/C13H25NO4/c1-13(2,3)18-12(17)14-10-8-6-4-5-7-9-11(15)16/h4-10H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
FPRZYWCRQHFPSX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCCCCCNC(=O)OC(C)(C)C
Isomeric Smiles
C(CCCCCCC(=O)O)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.931998
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.9771038
LogD (pH = 7.4)
0.215243
Log P
2.6485705
Molar Refractivity
68.7348
Polarizability
27.126339
Polar Surface Area
75.63
Rotatable Bonds
10
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
No Data Available
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Molecule Details
References
Bioactivity
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