Molecule

ID:129819

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₆N₂
Molecular Mass
294.43384
Exact Mass
294.20959884
Charge
0
InChI
InChI=1S/C20H26N2/c1-2-5-14(6-3-1)15-9-10-19-17(13-15)16-7-4-8-18-20(16)22(19)12-11-21-18/h9-10,13-14,18,21H,1-8,11-12H2
InChIKey
AUXCHYJDVJZEPG-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CC1)c1ccc2c(c1)c1CCCC3c1n2CCN3
Isomeric Smiles
C1CCCCC1c1ccc2n3CCNC4CCCc(c34)c2c1
Calculated Properties
JChem
LogD (pH = 7.4)
3.40
LogD (pH = 5.5)
1.79
Log P
4.71
Rotatable Bonds
1
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
8.69
Polar Surface Area
16.96
Polarizability
36.45
Molar Refractivity
91.57
LOG S
-5.23
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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