Molecule

ID:65847

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O₂
Molecular Mass
248.3208
Exact Mass
248.15247789
Charge
0
InChI
InChI=1S/C14H20N2O2/c1-11-10-16(9-8-15(11)2)13-6-4-12(5-7-13)14(17)18-3/h4-7,11H,8-10H2,1-3H3/t11-/m1/s1
InChIKey
OYEUPRPCCUJZEP-LLVKDONJSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)N1CCN([C@@H](C1)C)C
Isomeric Smiles
C(=O)(c1ccc(cc1)N1CCN([C@@H](C1)C)C)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.10300943
LogD (pH = 7.4)
1.6592624
Log P
2.3484612
Molar Refractivity
72.9808
Polarizability
27.730951
Polar Surface Area
32.78
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
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Molecule Details
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References
Bioactivity
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