Molecule

ID:47599

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂N₂
Molecular Mass
218.33788
Exact Mass
218.17829871
Charge
0
InChI
InChI=1S/C14H22N2/c1-2-16(12-8-4-3-5-9-12)14-11-7-6-10-13(14)15/h6-7,10-12H,2-5,8-9,15H2,1H3
InChIKey
XHINSVQNNRWSRM-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccccc1N)C1CCCCC1
Isomeric Smiles
N(c1c(N)cccc1)(C1CCCCC1)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9978259
LogD (pH = 7.4)
3.399907
Log P
3.4084423
Molar Refractivity
70.9498
Polarizability
26.643421
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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