Molecule

ID:79807

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₃NO₄
Molecular Mass
257.32602
Exact Mass
257.16270822
Charge
0
InChI
InChI=1S/C13H23NO4/c1-12(2,3)18-11(17)14-13(10(15)16)8-6-4-5-7-9-13/h4-9H2,1-3H3,(H,14,17)(H,15,16)
InChIKey
JCLYWYJWZJDMKY-UHFFFAOYSA-N
Canonic Smiles
O=C(NC1(CCCCCC1)C(=O)O)OC(C)(C)C
Isomeric Smiles
N(C1(CCCCCC1)C(=O)O)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.1196046
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.4215617
LogD (pH = 7.4)
-0.26990476
Log P
2.8166082
Molar Refractivity
66.5314
Polarizability
26.41152
Polar Surface Area
75.63
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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