Molecule

ID:19475

General Information
Structure
Molecular Formula
C₁₅H₁₈N₂
Molecular Mass
226.31682
Exact Mass
226.14699859
Charge
0
InChI
InChI=1S/C15H18N2/c1-17(2)14-9-7-12(8-10-14)15-6-4-3-5-13(15)11-16/h3-10H,11,16H2,1-2H3
InChIKey
JFZYYUXRBCYJLK-UHFFFAOYSA-N
Canonic Smiles
NCc1ccccc1c1ccc(cc1)N(C)C
Isomeric Smiles
c1(c2ccc(N(C)C)cc2)c(CN)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.22220935
LogD (pH = 7.4)
0.6406285
Log P
2.8542836
Molar Refractivity
74.0962
Polarizability
29.62769
Polar Surface Area
29.26
Rotatable Bonds
3
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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