Molecule

ID:6318

General Information
Structure
Molecular Formula
C₁₉H₂₂N₂O₃
Molecular Mass
326.38958
Exact Mass
326.16304257
Charge
0
InChI
InChI=1S/C19H22N2O3/c1-12-8-16(18-11-23-15(4)20-18)9-13(2)19(12)22-7-5-6-17-10-14(3)21-24-17/h8-11H,5-7H2,1-4H3
InChIKey
SLPKYEWAKMNCPT-UHFFFAOYSA-N
Canonic Smiles
Cc1noc(c1)CCCOc1c(C)cc(cc1C)c1coc(n1)C
Isomeric Smiles
o1nc(C)cc1CCCOc1c(C)cc(cc1C)c1coc(n1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.6580982
LogD (pH = 7.4)
3.6581604
Log P
3.6581614
Molar Refractivity
92.5515
Polarizability
36.009846
Polar Surface Area
61.29
Rotatable Bonds
6
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
4.46
LOG S
-4.1
Solubility (Water)
2.59e-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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