Molecule

ID:29664

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₆N₂O
Molecular Mass
298.42254
Exact Mass
298.20451346
Charge
0
InChI
InChI=1S/C19H26N2O/c1-4-21(5-2)18-13-11-17(12-14-18)20-15-16-9-7-8-10-19(16)22-6-3/h7-14,20H,4-6,15H2,1-3H3
InChIKey
AQFCKLGOVKQFEA-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccccc1CNc1ccc(cc1)N(CC)CC
Isomeric Smiles
c1(CNc2ccc(N(CC)CC)cc2)c(OCC)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.2706814
LogD (pH = 7.4)
3.866175
Log P
4.1912937
Molar Refractivity
96.002
Polarizability
35.801777
Polar Surface Area
24.5
Rotatable Bonds
8
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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