Molecule

ID:10896

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇NO₄
Molecular Mass
215.24628
Exact Mass
215.11575803
Charge
0
InChI
InChI=1S/C10H17NO4/c1-7(2)6-15-10(14)11-5-3-4-8(11)9(12)13/h7-8H,3-6H2,1-2H3,(H,12,13)
InChIKey
HSNCMAULVXJUDZ-UHFFFAOYSA-N
Canonic Smiles
CC(COC(=O)N1CCCC1C(=O)O)C
Isomeric Smiles
C1CCN(C1C(=O)O)C(=O)OCC(C)C
Calculated Properties
JChem
Acid pKa
3.97736
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.15483467
LogD (pH = 7.4)
-1.7955163
Log P
1.3763952
Molar Refractivity
52.998
Polarizability
20.932104
Polar Surface Area
66.84
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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