Molecule

ID:39371

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₃NO₆
Molecular Mass
337.36762
Exact Mass
337.15253746
Charge
0
InChI
InChI=1S/C17H23NO6/c1-17(2,3)24-16(22)18-13(9-14(19)20)10-15(21)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,19,20)/t13-/m1/s1
InChIKey
FAFJSSKTLCNWRJ-CYBMUJFWSA-N
Canonic Smiles
O=C(C[C@H](NC(=O)OC(C)(C)C)CC(=O)O)OCc1ccccc1
Isomeric Smiles
C(=O)(C[C@@H](CC(=O)O)NC(=O)OC(C)(C)C)OCc1ccccc1
Calculated Properties
JChem
Acid pKa
4.1880984
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.89680904
LogD (pH = 7.4)
-0.8147545
Log P
2.226765
Molar Refractivity
85.4117
Polarizability
33.835136
Polar Surface Area
101.93
Rotatable Bonds
10
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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