Molecule
ID:74593
General Information
Molecular Formula
C₁₇H₂₂N₂O₅
Molecular Mass
334.36698
Exact Mass
334.15287181
Charge
0
InChI
InChI=1S/C17H22N2O5/c20-15(12-4-1-2-5-13(12)17(22)23)18-7-9-19(10-8-18)16(21)14-6-3-11-24-14/h3,6,11-13H,1-2,4-5,7-10H2,(H,22,23)
InChIKey
OOYKIYXGBSNVBL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCCCC1C(=O)N1CCN(CC1)C(=O)c1ccco1
Isomeric Smiles
N1(C(=O)C2C(C(=O)O)CCCC2)CCN(C(=O)c2ccco2)CC1
Calculated Properties
JChem
Acid pKa
4.104964
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.66728354
LogD (pH = 7.4)
-2.3540812
Log P
0.74174553
Molar Refractivity
85.0841
Polarizability
32.5218
Polar Surface Area
91.06
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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