Molecule

ID:65225

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO₃
Molecular Mass
225.28416
Exact Mass
225.13649347
Charge
0
InChI
InChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-6-8-4-5-10(14)9(8)7-13/h8-9H,4-7H2,1-3H3
InChIKey
MZQZNAQWIOWKSR-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CC2C(C1)CCC2=O)OC(C)(C)C
Isomeric Smiles
C1N(CC2C1CCC2=O)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
19.266289
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3616036
LogD (pH = 7.4)
1.3616036
Log P
1.3616036
Molar Refractivity
59.5618
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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