Molecule

ID:23671

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₄N₂O₄
Molecular Mass
332.39416
Exact Mass
332.17360726
Charge
0
InChI
InChI=1S/C18H24N2O4/c1-2-6-16(21)19-12-7-5-8-13(11-12)20-17(22)14-9-3-4-10-15(14)18(23)24/h5,7-8,11,14-15H,2-4,6,9-10H2,1H3,(H,19,21)(H,20,22)(H,23,24)
InChIKey
QJVNFJBNQAOOSH-UHFFFAOYSA-N
Canonic Smiles
CCCC(=O)Nc1cccc(c1)NC(=O)C1CCCCC1C(=O)O
Isomeric Smiles
C(=O)(C1C(C(=O)O)CCCC1)Nc1cc(NC(=O)CCC)ccc1
Calculated Properties
JChem
Acid pKa
4.1839843
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
1.5961632
LogD (pH = 7.4)
-0.11427241
Log P
2.9300177
Molar Refractivity
92.454
Polarizability
34.631886
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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