Molecule

ID:130351

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄N₂
Molecular Mass
244.37516
Exact Mass
244.19394878
Charge
0
InChI
InChI=1S/C16H24N2/c1-13(2)16(12-17,11-14(3)18(4)5)15-9-7-6-8-10-15/h6-10,13-14H,11H2,1-5H3
InChIKey
WFLSCFISQHLEED-UHFFFAOYSA-N
Canonic Smiles
CC(C(c1ccccc1)(C#N)CC(N(C)C)C)C
Isomeric Smiles
N#CC(c1ccccc1)(C(C)C)CC(N(C)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.5889968
LogD (pH = 7.4)
2.2862635
Log P
3.632743
Molar Refractivity
77.2453
Polarizability
30.159283
Polar Surface Area
27.03
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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