Molecule

ID:105262

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₀N₂O₄
Molecular Mass
362.4632
Exact Mass
362.22055745
Charge
0
InChI
InChI=1S/C20H30N2O4/c1-4-5-11-17(13-23)21-19(24)18(12-15(2)3)22-20(25)26-14-16-9-7-6-8-10-16/h6-10,13,15,17-18H,4-5,11-12,14H2,1-3H3,(H,21,24)(H,22,25)
InChIKey
PGGUOGKHUUUWAF-UHFFFAOYSA-N
Canonic Smiles
CCCCC(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)C=O
Isomeric Smiles
CCCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C=O
Calculated Properties
JChem
Acid pKa
12.916422
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.5545342
LogD (pH = 7.4)
3.554533
Log P
3.5545342
Molar Refractivity
99.9489
Polarizability
39.29546
Polar Surface Area
84.5
Rotatable Bonds
12
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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