Molecule

ID:44115

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO₂
Molecular Mass
221.29546
Exact Mass
221.14157885
Charge
0
InChI
InChI=1S/C13H19NO2/c1-13(2,3)11-8-6-10(7-9-11)12(15)14(4)16-5/h6-9H,1-5H3
InChIKey
XXLVUAPKIAQHFL-UHFFFAOYSA-N
Canonic Smiles
CON(C(=O)c1ccc(cc1)C(C)(C)C)C
Isomeric Smiles
C(=O)(N(OC)C)c1ccc(C(C)(C)C)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9673975
LogD (pH = 7.4)
2.9673975
Log P
2.9673975
Molar Refractivity
64.9459
Polarizability
24.816736
Polar Surface Area
29.54
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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