Molecule

ID:21572

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃NO₃
Molecular Mass
253.33732
Exact Mass
253.1677936
Charge
0
InChI
InChI=1S/C14H23NO3/c16-13(15-9-5-1-2-6-10-15)11-7-3-4-8-12(11)14(17)18/h11-12H,1-10H2,(H,17,18)
InChIKey
KYLPETYBULKPEF-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCCCC1C(=O)O)N1CCCCCC1
Isomeric Smiles
C(=O)(C1C(C(=O)O)CCCC1)N1CCCCCC1
Calculated Properties
JChem
Acid pKa
4.660476
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.150883
LogD (pH = 7.4)
-0.62681407
Log P
2.0482454
Molar Refractivity
68.4444
Polarizability
26.801348
Polar Surface Area
57.61
Rotatable Bonds
2
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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