Molecule

ID:23615

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₂N₂O₄
Molecular Mass
366.41038
Exact Mass
366.15795719
Charge
0
InChI
InChI=1S/C21H22N2O4/c24-19(17-7-3-4-8-18(17)21(26)27)22-16-11-9-15(10-12-16)20(25)23-13-5-1-2-6-14-23/h3-4,7-12H,1-2,5-6,13-14H2,(H,22,24)(H,26,27)
InChIKey
VDVYIGJNLDMODJ-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)NC(=O)c1ccccc1C(=O)O)N1CCCCCC1
Isomeric Smiles
C(=O)(c1c(C(=O)O)cccc1)Nc1ccc(C(=O)N2CCCCCC2)cc1
Calculated Properties
JChem
Acid pKa
2.9112022
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.77204615
LogD (pH = 7.4)
-0.16872267
Log P
3.3156407
Molar Refractivity
104.4625
Polarizability
38.428337
Polar Surface Area
86.71
Rotatable Bonds
4
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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