Molecule

ID:70199

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₂N₂
Molecular Mass
206.32718
Exact Mass
206.17829871
Charge
0
InChI
InChI=1S/C13H22N2/c1-2-3-4-5-6-7-10-15-13-8-11-14-12-9-13/h8-9,11-12H,2-7,10H2,1H3,(H,14,15)
InChIKey
RHDWCSIBVZKRRU-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCNc1ccncc1
Isomeric Smiles
c1cc(ccn1)NCCCCCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.3469563
LogD (pH = 7.4)
2.4614704
Log P
3.3305252
Molar Refractivity
66.3725
Polarizability
25.327204
Polar Surface Area
24.92
Rotatable Bonds
8
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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