Molecule

ID:136062

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉NO₄
Molecular Mass
219.24822374
Exact Mass
219.13179782
Charge
0
InChI
InChI=1S/C10H19NO4/c1-7(8(12)14-5)6-11-9(13)15-10(2,3)4/h7H,6H2,1-5H3,(H,11,13)/i6+1,11+1
InChIKey
JZHNQALXNGWKCG-PWJLNAAISA-N
Canonic Smiles
COC(=O)C([13CH2][15NH]C(=O)OC(C)(C)C)C
Isomeric Smiles
CC([13CH2][15NH]C(=O)OC(C)(C)C)C(=O)OC
Calculated Properties
JChem
Acid pKa
15.087675
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2705148
LogD (pH = 7.4)
1.2705148
Log P
1.2705148
Molar Refractivity
54.9194
Polarizability
21.880163
Polar Surface Area
64.63
Rotatable Bonds
6
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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