Molecule

ID:24477

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₂N₂
Molecular Mass
206.32718
Exact Mass
206.17829871
Charge
0
InChI
InChI=1S/C13H22N2/c1-3-14-10-7-11-15(2)12-13-8-5-4-6-9-13/h4-6,8-9,14H,3,7,10-12H2,1-2H3
InChIKey
DEWAPMCDNKXPOL-UHFFFAOYSA-N
Canonic Smiles
CCNCCCN(Cc1ccccc1)C
Isomeric Smiles
N(Cc1ccccc1)(CCCNCC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.529134
LogD (pH = 7.4)
-1.4733377
Log P
1.9670068
Molar Refractivity
66.9391
Polarizability
26.344938
Polar Surface Area
15.27
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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