Molecule

ID:17797

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂
Molecular Mass
214.30612
Exact Mass
214.14699859
Charge
0
InChI
InChI=1S/C14H18N2/c1-9-6-10(8-15)14-12(7-9)11-4-2-3-5-13(11)16-14/h6-7,16H,2-5,8,15H2,1H3
InChIKey
SQJBXTLGFWHKQB-UHFFFAOYSA-N
Canonic Smiles
NCc1cc(C)cc2c1[nH]c1c2CCCC1
Isomeric Smiles
c12c(c3c([nH]2)CCCC3)cc(cc1CN)C
Calculated Properties
JChem
Acid pKa
17.205694
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-0.071475625
LogD (pH = 7.4)
0.7665388
Log P
2.9275455
Molar Refractivity
68.1728
Polarizability
27.236744
Polar Surface Area
41.81
Rotatable Bonds
1
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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