Molecule

ID:34926

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄N₂O₄
Molecular Mass
344.40486
Exact Mass
344.17360726
Charge
0
InChI
InChI=1S/C19H24N2O4/c1-3-24-17-7-5-4-6-15(17)18-20-16(13(2)25-18)12-21-10-8-14(9-11-21)19(22)23/h4-7,14H,3,8-12H2,1-2H3,(H,22,23)
InChIKey
GDEJHVMTZFTHDO-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccccc1c1oc(c(n1)CN1CCC(CC1)C(=O)O)C
Isomeric Smiles
c1(nc(c(o1)C)CN1CCC(C(=O)O)CC1)c1c(OCC)cccc1
Calculated Properties
JChem
Acid pKa
4.278446
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.26005
LogD (pH = 7.4)
-0.3121549
Log P
-0.24778084
Molar Refractivity
104.6329
Polarizability
36.914356
Polar Surface Area
75.8
Rotatable Bonds
6
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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