Molecule

ID:14749

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀N₂O
Molecular Mass
208.3
Exact Mass
208.15756327
Charge
0
InChI
InChI=1S/C12H20N2O/c1-11(2)15-8-4-7-14-10-12-5-3-6-13-9-12/h3,5-6,9,11,14H,4,7-8,10H2,1-2H3
InChIKey
JQNHRXMVGPRKSX-UHFFFAOYSA-N
Canonic Smiles
CC(OCCCNCc1cccnc1)C
Isomeric Smiles
c1(cccnc1)CNCCCOC(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.0353172
LogD (pH = 7.4)
-0.7766587
Log P
1.1002895
Molar Refractivity
62.2254
Polarizability
24.543108
Polar Surface Area
34.15
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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