Molecule

ID:29840

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)12-7-4-5-9(13)6-8-12/h4-8H2,1-3H3
InChIKey
PMLBUVZPRKXMOX-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
C1CN(CCC(=O)C1)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
18.97781
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3619391
LogD (pH = 7.4)
1.3619391
Log P
1.3619391
Molar Refractivity
56.9189
Polarizability
22.264418
Polar Surface Area
46.61
Rotatable Bonds
2
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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