Molecule

ID:86872

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₃NO₄
Molecular Mass
293.35812
Exact Mass
293.16270822
Charge
0
InChI
InChI=1S/C16H23NO4/c1-5-20-14(18)13(11-12-9-7-6-8-10-12)17-15(19)21-16(2,3)4/h6-10,13H,5,11H2,1-4H3,(H,17,19)/t13-/m1/s1
InChIKey
XICJPCJVGUIDED-CYBMUJFWSA-N
Canonic Smiles
CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Isomeric Smiles
N(C(=O)OC(C)(C)C)[C@@H](C(=O)OCC)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
13.546992
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.0724144
LogD (pH = 7.4)
3.0724142
Log P
3.0724144
Molar Refractivity
79.507
Polarizability
31.418606
Polar Surface Area
64.63
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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