Molecule

ID:48249

General Information
Structure
Molecular Formula
C₁₅H₂₂N₂O₂
Molecular Mass
262.34738
Exact Mass
262.16812795
Charge
0
InChI
InChI=1S/C15H22N2O2/c1-2-19-15(18)12-7-8-14(13(16)11-12)17-9-5-3-4-6-10-17/h7-8,11H,2-6,9-10,16H2,1H3
InChIKey
CGIOIWZFYWDGPW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(c(c1)N)N1CCCCCC1
Isomeric Smiles
c1(N2CCCCCC2)c(cc(C(=O)OCC)cc1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.9019902
LogD (pH = 7.4)
2.9075127
Log P
2.9075835
Molar Refractivity
78.7039
Polarizability
29.187012
Polar Surface Area
55.56
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
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Molecule Details
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References
Bioactivity
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