Molecule

ID:39468

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₃NO₄
Molecular Mass
257.32602
Exact Mass
257.16270822
Charge
0
InChI
InChI=1S/C13H23NO4/c1-13(2,3)18-12(17)14-8-6-10(7-9-14)4-5-11(15)16/h10H,4-9H2,1-3H3,(H,15,16)
InChIKey
XWZDPNBLQJCKNC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCC1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
C1N(CCC(C1)CCC(=O)O)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.2221684
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.4988677
LogD (pH = 7.4)
-1.2216552
Log P
1.7965953
Molar Refractivity
67.2465
Polarizability
26.41152
Polar Surface Area
66.84
Rotatable Bonds
5
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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