Molecule

ID:75905

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇LiN₂O₂
Molecular Mass
240.22728
Exact Mass
240.14500734
Charge
0
InChI
InChI=1S/C13H18N2O2.Li/c1-14-6-8-15(9-7-14)10-11-4-2-3-5-12(11)13(16)17;/h2-5H,6-10H2,1H3,(H,16,17);/q;+1/p-1
InChIKey
BHMRBFXQIGCNNV-UHFFFAOYSA-M
Canonic Smiles
CN1CCN(CC1)Cc1ccccc1C(=O)[O-].[Li+]
Isomeric Smiles
N1(CCN(CC1)C)Cc1c(cccc1)C(=O)[O-].[Li+]
Calculated Properties
JChem
Acid pKa
2.3012853
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-1.3111796
LogD (pH = 7.4)
-1.3347092
Log P
-1.3092651
Molar Refractivity
78.7441
Polarizability
25.936295
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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