Molecule

ID:44467

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₉NO₅
Molecular Mass
353.36856
Exact Mass
353.12632271
Charge
0
InChI
InChI=1S/C20H19NO5/c22-18-9-7-15(20(23)24)19(21(18)11-13-4-2-1-3-5-13)14-6-8-16-17(10-14)26-12-25-16/h1-6,8,10,15,19H,7,9,11-12H2,(H,23,24)
InChIKey
QZLGYHOJUHNZKB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCC(=O)N(C1c1ccc2c(c1)OCO2)Cc1ccccc1
Isomeric Smiles
N1(C(C(C(=O)O)CCC1=O)c1cc2c(OCO2)cc1)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
3.9430478
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
1.0349971
LogD (pH = 7.4)
-0.59158856
Log P
2.599234
Molar Refractivity
92.5038
Polarizability
36.289585
Polar Surface Area
76.07
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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