Molecule

ID:13209

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂
Molecular Mass
226.31682
Exact Mass
226.14699859
Charge
0
InChI
InChI=1S/C15H18N2/c1-2-13-5-7-14(8-6-13)10-17-12-15-4-3-9-16-11-15/h3-9,11,17H,2,10,12H2,1H3
InChIKey
HPNYVMFOKBZNMG-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)CNCc1cccnc1
Isomeric Smiles
c1(CNCc2ccc(cc2)CC)cccnc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.065646656
LogD (pH = 7.4)
1.6628064
Log P
2.9963853
Molar Refractivity
71.4039
Polarizability
27.897842
Polar Surface Area
24.92
Rotatable Bonds
5
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
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References
Bioactivity
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