Molecule

ID:76091

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₃NO₅
Molecular Mass
321.36822
Exact Mass
321.15762284
Charge
0
InChI
InChI=1S/C17H23NO5/c1-17(2,3)23-16(21)18-9-13(14(10-18)15(19)20)11-5-7-12(22-4)8-6-11/h5-8,13-14H,9-10H2,1-4H3,(H,19,20)/t13-,14+/m1/s1
InChIKey
ISEHHCOIDMZBSU-KGLIPLIRSA-N
Canonic Smiles
COc1ccc(cc1)[C@H]1CN(C[C@@H]1C(=O)O)C(=O)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)C[C@H](C(=O)O)[C@H](C1)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
4.2441635
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.9388886
LogD (pH = 7.4)
-0.7870566
Log P
2.2158697
Molar Refractivity
84.3452
Polarizability
32.98786
Polar Surface Area
76.07
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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