Molecule

ID:33671

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O₂
Molecular Mass
248.3208
Exact Mass
248.15247789
Charge
0
InChI
InChI=1S/C14H20N2O2/c1-15-5-7-16(8-6-15)10-13-9-12(11-17)3-4-14(13)18-2/h3-4,9,11H,5-8,10H2,1-2H3
InChIKey
KZLZFTWBOPLJSN-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1CN1CCN(CC1)C)C=O
Isomeric Smiles
c1(CN2CCN(CC2)C)c(ccc(c1)C=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.47842848
LogD (pH = 7.4)
1.0643021
Log P
1.3165933
Molar Refractivity
73.698
Polarizability
28.108488
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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