Molecule

ID:59152

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂N₂
Molecular Mass
266.38068
Exact Mass
266.17829871
Charge
0
InChI
InChI=1S/C18H22N2/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15/h4-11H,1-3,12-13,19-20H2
InChIKey
ZSQIQUAKDNTQOI-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)C1(CCCCC1)c1ccc(cc1)N
Isomeric Smiles
C1CCCCC1(c1ccc(cc1)N)c1ccc(cc1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.797449
LogD (pH = 7.4)
3.8633466
Log P
3.8642342
Molar Refractivity
96.7149
Polarizability
32.49953
Polar Surface Area
52.04
Rotatable Bonds
2
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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