Molecule

ID:118021

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂
Molecular Mass
214.30612
Exact Mass
214.14699859
Charge
0
InChI
InChI=1S/C14H18N2/c1-10-4-6-14(7-5-10)16-11(2)8-13(9-15)12(16)3/h4-8H,9,15H2,1-3H3
InChIKey
LCVFVWMTHNCWCY-UHFFFAOYSA-N
Canonic Smiles
NCc1cc(n(c1C)c1ccc(cc1)C)C
Isomeric Smiles
n1(c(cc(c1C)CN)C)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.1744797
LogD (pH = 7.4)
0.040051766
Log P
2.1752
Molar Refractivity
79.6244
Polarizability
27.05172
Polar Surface Area
30.95
Rotatable Bonds
2
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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