Molecule

ID:68986

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉NO₃
Molecular Mass
213.27346
Exact Mass
213.13649347
Charge
0
InChI
InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-8-5-4-6-9(13)7-8/h8H,4-7H2,1-3H3,(H,12,14)
InChIKey
VGDCXKATFLOEHF-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCC(C1)NC(=O)OC(C)(C)C
Isomeric Smiles
C1(=O)CC(CCC1)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
14.873669
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6425987
LogD (pH = 7.4)
1.6425987
Log P
1.6425987
Molar Refractivity
56.2934
Polarizability
22.264418
Polar Surface Area
55.4
Rotatable Bonds
3
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
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References
Bioactivity
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