Molecule

ID:13406

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₂O₂
Molecular Mass
224.2994
Exact Mass
224.15247789
Charge
0
InChI
InChI=1S/C12H20N2O2/c1-11-2-3-12(16-11)10-13-4-5-14-6-8-15-9-7-14/h2-3,13H,4-10H2,1H3
InChIKey
ZMAIYEWXKQRJJT-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(o1)CNCCN1CCOCC1
Isomeric Smiles
O1CCN(CC1)CCNCc1ccc(o1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.998913
LogD (pH = 7.4)
-0.24794279
Log P
0.59154665
Molar Refractivity
63.9402
Polarizability
24.861406
Polar Surface Area
37.64
Rotatable Bonds
5
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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