Molecule

ID:119862

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₂N₂
Molecular Mass
278.39138
Exact Mass
278.17829871
Charge
0
InChI
InChI=1S/C19H22N2/c1-2-3-6-15-9-11-17(12-10-15)20-13-16-14-21-19-8-5-4-7-18(16)19/h4-5,7-12,14,20-21H,2-3,6,13H2,1H3
InChIKey
AKADBJNJVBCWJD-UHFFFAOYSA-N
Canonic Smiles
CCCCc1ccc(cc1)NCc1c[nH]c2c1cccc2
Isomeric Smiles
c1(c[nH]c2c1cccc2)CNc1ccc(cc1)CCCC
Calculated Properties
JChem
Acid pKa
15.971643
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
5.0942826
LogD (pH = 7.4)
5.116101
Log P
5.1163864
Molar Refractivity
90.7951
Polarizability
35.542587
Polar Surface Area
27.82
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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