Molecule

ID:65285

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(16)14-6-4-13(5-7-14)8-10(15)9-17-13/h10,15H,4-9H2,1-3H3
InChIKey
HCDWHGFENXBNSC-UHFFFAOYSA-N
Canonic Smiles
OC1COC2(C1)CCN(CC2)C(=O)OC(C)(C)C
Isomeric Smiles
C12(CCN(CC1)C(=O)OC(C)(C)C)CC(CO2)O
Calculated Properties
JChem
Acid pKa
14.372928
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.23336925
LogD (pH = 7.4)
0.2333692
Log P
0.23336925
Molar Refractivity
66.9125
Polarizability
26.481062
Polar Surface Area
59.0
Rotatable Bonds
2
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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