Molecule

ID:64067

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO₃
Molecular Mass
225.28416
Exact Mass
225.13649347
Charge
0
InChI
InChI=1S/C12H19NO3/c1-11(2,3)16-10(15)13-7-6-12(8-13)5-4-9(12)14/h4-8H2,1-3H3
InChIKey
YSPQZAVVKDORTB-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC2(C1)CCC2=O)OC(C)(C)C
Isomeric Smiles
C1C2(CCN1C(=O)OC(C)(C)C)C(=O)CC2
Calculated Properties
JChem
Acid pKa
18.791513
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5526451
LogD (pH = 7.4)
1.5526451
Log P
1.5526451
Molar Refractivity
59.5912
Polarizability
23.380445
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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