Molecule

ID:23647

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₄N₂O₄
Molecular Mass
332.39416
Exact Mass
332.17360726
Charge
0
InChI
InChI=1S/C18H24N2O4/c1-2-11-19-16(21)12-7-9-13(10-8-12)20-17(22)14-5-3-4-6-15(14)18(23)24/h7-10,14-15H,2-6,11H2,1H3,(H,19,21)(H,20,22)(H,23,24)
InChIKey
LXHLXOMDHLBJJA-UHFFFAOYSA-N
Canonic Smiles
CCCNC(=O)c1ccc(cc1)NC(=O)C1CCCCC1C(=O)O
Isomeric Smiles
C(=O)(C1C(C(=O)O)CCCC1)Nc1ccc(C(=O)NCCC)cc1
Calculated Properties
JChem
Acid pKa
4.06041
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
1.0492569
LogD (pH = 7.4)
-0.62256277
Log P
2.5008497
Molar Refractivity
91.6108
Polarizability
34.43138
Polar Surface Area
95.5
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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