Molecule

ID:51189

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃NO₄
Molecular Mass
175.18242
Exact Mass
175.0844579
Charge
0
InChI
InChI=1S/C7H13NO4/c1-2-12-7(11)8-5-3-4-6(9)10/h2-5H2,1H3,(H,8,11)(H,9,10)
InChIKey
OZJDUFODPCKINY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)NCCCC(=O)O
Isomeric Smiles
C(=O)(NCCCC(=O)O)OCC
Calculated Properties
JChem
Acid pKa
4.3674364
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.9885626
LogD (pH = 7.4)
-2.7397454
Log P
0.17314407
Molar Refractivity
41.2738
Polarizability
16.180851
Polar Surface Area
75.63
Rotatable Bonds
6
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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