Molecule

ID:39383

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₃NO₅
Molecular Mass
309.35752
Exact Mass
309.15762284
Charge
0
InChI
InChI=1S/C16H23NO5/c1-16(2,3)22-15(20)17-13(9-14(18)19)11-21-10-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,20)(H,18,19)/t13-/m1/s1
InChIKey
BNSXKDBZQDOLAL-CYBMUJFWSA-N
Canonic Smiles
OC(=O)C[C@@H](NC(=O)OC(C)(C)C)COCc1ccccc1
Isomeric Smiles
O(C[C@@H](CC(=O)O)NC(=O)OC(C)(C)C)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
4.4100194
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.1965536
LogD (pH = 7.4)
-0.5613589
Log P
2.3188992
Molar Refractivity
80.9021
Polarizability
31.885212
Polar Surface Area
84.86
Rotatable Bonds
9
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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