Molecule

ID:92437

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₁NO₃
Molecular Mass
227.30004
Exact Mass
227.15214354
Charge
0
InChI
InChI=1S/C12H21NO3/c1-5-9-8-10(14)6-7-13(9)11(15)16-12(2,3)4/h9H,5-8H2,1-4H3
InChIKey
GJZHXLNQQNAXNW-UHFFFAOYSA-N
Canonic Smiles
CCC1CC(=O)CCN1C(=O)OC(C)(C)C
Isomeric Smiles
N1(C(CC(=O)CC1)CC)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
18.740946
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0123754
LogD (pH = 7.4)
2.0123754
Log P
2.0123754
Molar Refractivity
61.1067
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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