Molecule

ID:6329

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₆N₂O₃
Molecular Mass
342.43204
Exact Mass
342.1943427
Charge
0
InChI
InChI=1S/C20H26N2O3/c1-16-15-19(25-22-16)7-5-3-2-4-6-13-23-18-10-8-17(9-11-18)20-21-12-14-24-20/h8-11,15H,2-7,12-14H2,1H3
InChIKey
FKLJPTJMIBLJAV-UHFFFAOYSA-N
Canonic Smiles
Cc1noc(c1)CCCCCCCOc1ccc(cc1)C1=NCCO1
Isomeric Smiles
o1nc(C)cc1CCCCCCCOc1ccc(cc1)C1=NCCO1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.1335196
LogD (pH = 7.4)
4.146615
Log P
4.1467843
Molar Refractivity
98.2378
Polarizability
37.352684
Polar Surface Area
56.85
Rotatable Bonds
10
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
4.73
LOG S
-4.43
Solubility (Water)
1.29e-02 g/l
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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