Molecule

ID:66797

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₁NO₃
Molecular Mass
227.30004
Exact Mass
227.15214354
Charge
0
InChI
InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13(4)9-5-7-10(14)8-6-9/h9H,5-8H2,1-4H3
InChIKey
JAMGILZSPQRPBH-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)OC(C)(C)C)C1CCC(=O)CC1
Isomeric Smiles
C(=O)(N(C1CCC(=O)CC1)C)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
19.260498
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7103674
LogD (pH = 7.4)
1.7103674
Log P
1.7103674
Molar Refractivity
61.3441
Polarizability
24.098007
Polar Surface Area
46.61
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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