Molecule

ID:38998

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₃NO₅
Molecular Mass
309.35752
Exact Mass
309.15762284
Charge
0
InChI
InChI=1S/C16H23NO5/c1-15(2,3)22-14(20)17-16(4,13(18)19)10-11-7-6-8-12(9-11)21-5/h6-9H,10H2,1-5H3,(H,17,20)(H,18,19)
InChIKey
OIRZRJJQGUJLHQ-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)CC(C(=O)O)(NC(=O)OC(C)(C)C)C
Isomeric Smiles
c1c(cc(cc1)CC(C)(C(=O)O)NC(=O)OC(C)(C)C)OC
Calculated Properties
JChem
Acid pKa
3.844796
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.1858637
LogD (pH = 7.4)
-0.3964292
Log P
2.8448071
Molar Refractivity
81.1658
Polarizability
31.872295
Polar Surface Area
84.86
Rotatable Bonds
7
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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