Molecule

ID:68913

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈N₂O₂
Molecular Mass
234.29422
Exact Mass
234.13682783
Charge
0
InChI
InChI=1S/C13H18N2O2/c14-12-7-4-8-15(9-12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,14H2
InChIKey
PBFBPDLWODIXHK-UHFFFAOYSA-N
Canonic Smiles
NC1CCCN(C1)C(=O)OCc1ccccc1
Isomeric Smiles
N1(CC(CCC1)N)C(=O)OCc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5497313
LogD (pH = 7.4)
-0.5463482
Log P
1.4294088
Molar Refractivity
65.6565
Polarizability
25.9112
Polar Surface Area
55.56
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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