Molecule

ID:23610

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₄N₂O₄
Molecular Mass
368.42626
Exact Mass
368.17360726
Charge
0
InChI
InChI=1S/C21H24N2O4/c1-3-13-23(14-4-2)20(25)15-9-11-16(12-10-15)22-19(24)17-7-5-6-8-18(17)21(26)27/h5-12H,3-4,13-14H2,1-2H3,(H,22,24)(H,26,27)
InChIKey
WJBLVJDIXJAFBD-UHFFFAOYSA-N
Canonic Smiles
CCCN(C(=O)c1ccc(cc1)NC(=O)c1ccccc1C(=O)O)CCC
Isomeric Smiles
C(=O)(c1c(C(=O)O)cccc1)Nc1ccc(C(=O)N(CCC)CCC)cc1
Calculated Properties
JChem
Acid pKa
2.9112039
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.235772
LogD (pH = 7.4)
0.29500324
Log P
3.7793667
Molar Refractivity
106.2647
Polarizability
39.150856
Polar Surface Area
86.71
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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