Molecule

ID:10697

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈N₂
Molecular Mass
178.27402
Exact Mass
178.14699859
Charge
0
InChI
InChI=1S/C11H18N2/c1-3-13(4-2)10-7-11-5-8-12-9-6-11/h5-6,8-9H,3-4,7,10H2,1-2H3
InChIKey
KHPJCEUYRXYZBA-UHFFFAOYSA-N
Canonic Smiles
CCN(CCc1ccncc1)CC
Isomeric Smiles
c1cnccc1CCN(CC)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.8673428
LogD (pH = 7.4)
-0.46315396
Log P
1.6992472
Molar Refractivity
56.696
Polarizability
21.958036
Polar Surface Area
16.13
Rotatable Bonds
5
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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