Molecule

ID:66552

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈N₂O₂
Molecular Mass
234.29422
Exact Mass
234.13682783
Charge
0
InChI
InChI=1S/C13H18N2O2/c1-17-13(16)12-4-2-11(3-5-12)10-15-8-6-14-7-9-15/h2-5,14H,6-10H2,1H3
InChIKey
XJIVYTXCTMWGLR-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)CN1CCNCC1
Isomeric Smiles
C(=O)(c1ccc(cc1)CN1CCNCC1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.7859447
LogD (pH = 7.4)
-0.4559644
Log P
1.3821912
Molar Refractivity
67.3814
Polarizability
26.273718
Polar Surface Area
41.57
Rotatable Bonds
4
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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