Molecule

ID:39358

General Information
Structure
Molecular Formula
C₁₆H₂₃NO₄
Molecular Mass
293.35812
Exact Mass
293.16270822
Charge
0
InChI
InChI=1S/C16H23NO4/c1-16(2,3)21-15(20)17-13(11-14(18)19)10-9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,20)(H,18,19)/t13-/m0/s1
InChIKey
MYWZFJXOLAXENE-ZDUSSCGKSA-N
Canonic Smiles
OC(=O)C[C@@H](NC(=O)OC(C)(C)C)CCc1ccccc1
Isomeric Smiles
c1ccccc1CC[C@@H](CC(=O)O)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.621038
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.167212
LogD (pH = 7.4)
0.39042625
Log P
3.0991046
Molar Refractivity
79.2146
Polarizability
31.16966
Polar Surface Area
75.63
Rotatable Bonds
8
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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