Molecule

ID:76739

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉NO₃
Molecular Mass
225.28416
Exact Mass
225.13649347
Charge
0
InChI
InChI=1S/C12H19NO3/c1-8-12(16-9(14)15-8)6-10(2,3)13-11(4,5)7-12/h13H,1,6-7H2,2-5H3
InChIKey
PLGIHJGZMPBQPC-UHFFFAOYSA-N
Canonic Smiles
C=C1OC(=O)OC21CC(C)(C)NC(C2)(C)C
Isomeric Smiles
O1C(=O)OC(=C)C21CC(C)(C)NC(C2)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.679882
LogD (pH = 7.4)
-1.24114
Log P
1.5523506
Molar Refractivity
59.9901
Polarizability
24.12702
Polar Surface Area
47.56
Rotatable Bonds
0
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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