Molecule

ID:91202

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O₂
Molecular Mass
248.3208
Exact Mass
248.15247789
Charge
0
InChI
InChI=1S/C14H20N2O2/c1-15-7-9-16(10-8-15)11-12-3-5-13(6-4-12)14(17)18-2/h3-6H,7-11H2,1-2H3
InChIKey
MEYCYFIWDAQKQK-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)CN1CCN(CC1)C
Isomeric Smiles
N1(CCN(CC1)Cc1ccc(cc1)C(=O)OC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.909407
LogD (pH = 7.4)
0.86469924
Log P
1.7652391
Molar Refractivity
72.6761
Polarizability
28.116478
Polar Surface Area
32.78
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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