Molecule

ID:110001

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₂N₂
Molecular Mass
266.38068
Exact Mass
266.17829871
Charge
0
InChI
InChI=1S/C18H22N2/c1-15-7-3-5-9-17(15)19-11-13-20(14-12-19)18-10-6-4-8-16(18)2/h3-10H,11-14H2,1-2H3
InChIKey
JGAUYUXAWKINSH-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1N1CCN(CC1)c1ccccc1C
Isomeric Smiles
Cc1ccccc1N1CCN(CC1)c1ccccc1C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.8358173
LogD (pH = 7.4)
4.8462377
Log P
4.846372
Molar Refractivity
87.1176
Polarizability
32.424946
Polar Surface Area
6.48
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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