Molecule

ID:133926

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₆N₂O₅
Molecular Mass
362.42014
Exact Mass
362.18417194
Charge
0
InChI
InChI=1S/C19H26N2O5/c1-3-13(2)16(17(22)21-11-7-10-15(21)18(23)24)20-19(25)26-12-14-8-5-4-6-9-14/h4-6,8-9,13,15-16H,3,7,10-12H2,1-2H3,(H,20,25)(H,23,24)
InChIKey
ABVHKUUPJNVPLM-UHFFFAOYSA-N
Canonic Smiles
CCC(C(C(=O)N1CCCC1C(=O)O)NC(=O)OCc1ccccc1)C
Isomeric Smiles
CCC(C)C(C(=O)N1CCCC1C(=O)O)NC(=O)OCc1ccccc1
Calculated Properties
JChem
Acid pKa
3.836943
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.9855865
LogD (pH = 7.4)
-0.5929167
Log P
2.65211
Molar Refractivity
94.7604
Polarizability
37.207684
Polar Surface Area
95.94
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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