Molecule

ID:23672

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₄N₂O₅
Molecular Mass
348.39356
Exact Mass
348.16852188
Charge
0
InChI
InChI=1S/C18H24N2O5/c1-25-10-9-19-16(21)12-5-4-6-13(11-12)20-17(22)14-7-2-3-8-15(14)18(23)24/h4-6,11,14-15H,2-3,7-10H2,1H3,(H,19,21)(H,20,22)(H,23,24)
InChIKey
ZYDXPDMDBNDDGV-UHFFFAOYSA-N
Canonic Smiles
COCCNC(=O)c1cccc(c1)NC(=O)C1CCCCC1C(=O)O
Isomeric Smiles
C(=O)(C1C(C(=O)O)CCCC1)Nc1cc(C(=O)NCCOC)ccc1
Calculated Properties
JChem
Acid pKa
3.9129055
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-0.01872153
LogD (pH = 7.4)
-1.632336
Log P
1.5745437
Molar Refractivity
93.3817
Polarizability
35.15825
Polar Surface Area
104.73
Rotatable Bonds
7
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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