Molecule

ID:48246

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂N₂O₂
Molecular Mass
262.34738
Exact Mass
262.16812795
Charge
0
InChI
InChI=1S/C15H22N2O2/c1-3-19-15(18)12-4-5-14(13(16)10-12)17-8-6-11(2)7-9-17/h4-5,10-11H,3,6-9,16H2,1-2H3
InChIKey
KIQIADZTTWUHSI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(c(c1)N)N1CCC(CC1)C
Isomeric Smiles
N1(c2c(cc(C(=O)OCC)cc2)N)CCC(CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.7476628
LogD (pH = 7.4)
2.750004
Log P
2.7500339
Molar Refractivity
78.6515
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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