Molecule

ID:39322

General Information
Structure
MolImage
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-/m1/s1
InChIKey
MYWZFJXOLAXENE-CYBMUJFWSA-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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation