Molecule

ID:108179

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂
Molecular Mass
226.31682
Exact Mass
226.14699859
Charge
0
InChI
InChI=1S/C15H18N2/c1-13(17-15-10-6-3-7-11-15)12-16-14-8-4-2-5-9-14/h2-11,13,16-17H,12H2,1H3
InChIKey
BBRHQNMMUUMVDE-UHFFFAOYSA-N
Canonic Smiles
CC(Nc1ccccc1)CNc1ccccc1
Isomeric Smiles
CC(CNc1ccccc1)Nc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.0366063
LogD (pH = 7.4)
3.135679
Log P
3.137098
Molar Refractivity
74.9534
Polarizability
27.790422
Polar Surface Area
24.06
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
References
Bioactivity
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