Molecule

ID:32218

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₂N₂O₄
Molecular Mass
318.36758
Exact Mass
318.15795719
Charge
0
InChI
InChI=1S/C17H22N2O4/c20-15(8-9-16(21)22)18-14-7-5-6-13(12-14)17(23)19-10-3-1-2-4-11-19/h5-7,12H,1-4,8-11H2,(H,18,20)(H,21,22)
InChIKey
CLYJUSVSDYKHCB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCC(=O)Nc1cccc(c1)C(=O)N1CCCCCC1
Isomeric Smiles
C(=O)(N1CCCCCC1)c1cc(NC(=O)CCC(=O)O)ccc1
Calculated Properties
JChem
Acid pKa
3.7207358
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.15017067
LogD (pH = 7.4)
-1.6683147
Log P
1.6287462
Molar Refractivity
87.4291
Polarizability
32.598206
Polar Surface Area
86.71
Rotatable Bonds
5
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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