Molecule

ID:20106

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₂O
Molecular Mass
208.3
Exact Mass
208.15756327
Charge
0
InChI
InChI=1S/C12H20N2O/c1-3-14(4-2)9-10-15-12-7-5-11(13)6-8-12/h5-8H,3-4,9-10,13H2,1-2H3
InChIKey
LFJGGGIWERIGNX-UHFFFAOYSA-N
Canonic Smiles
CCN(CCOc1ccc(cc1)N)CC
Isomeric Smiles
c1(N)ccc(cc1)OCCN(CC)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.7405057
LogD (pH = 7.4)
-0.27434528
Log P
1.718909
Molar Refractivity
64.7379
Polarizability
24.73236
Polar Surface Area
38.49
Rotatable Bonds
6
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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