Molecule

ID:30824

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂
Molecular Mass
218.33788
Exact Mass
218.17829871
Charge
0
InChI
InChI=1S/C14H22N2/c15-11-13-5-7-14(8-6-13)12-16-9-3-1-2-4-10-16/h5-8H,1-4,9-12,15H2
InChIKey
XNBPTTSAEHCYPP-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)CN1CCCCCC1
Isomeric Smiles
N1(Cc2ccc(cc2)CN)CCCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.0471225
LogD (pH = 7.4)
-1.8882824
Log P
2.3353457
Molar Refractivity
69.8171
Polarizability
27.442192
Polar Surface Area
29.26
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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