Molecule

ID:116939

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂N₂
Molecular Mass
266.38068
Exact Mass
266.17829871
Charge
0
InChI
InChI=1S/C18H22N2/c1-15-6-5-9-17(12-15)18-14-20(11-10-19-18)13-16-7-3-2-4-8-16/h2-9,12,18-19H,10-11,13-14H2,1H3
InChIKey
QJHGUGUDPGYZAT-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)C1NCCN(C1)Cc1ccccc1
Isomeric Smiles
N1(CC(NCC1)c1cc(ccc1)C)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.37252104
LogD (pH = 7.4)
1.9007047
Log P
3.6763759
Molar Refractivity
84.6801
Polarizability
33.311504
Polar Surface Area
15.27
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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