Molecule

ID:44790

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₃NO₃
Molecular Mass
277.35872
Exact Mass
277.1677936
Charge
0
InChI
InChI=1S/C16H23NO3/c1-11(2)14(18)16(3,4)13(17-15(19)20-5)12-9-7-6-8-10-12/h6-11,13H,1-5H3,(H,17,19)
InChIKey
JYMRVVBXWDNNKU-UHFFFAOYSA-N
Canonic Smiles
COC(=O)NC(C(C(=O)C(C)C)(C)C)c1ccccc1
Isomeric Smiles
C(C(NC(=O)OC)c1ccccc1)(C(=O)C(C)C)(C)C
Calculated Properties
JChem
Acid pKa
14.262819
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.9840634
LogD (pH = 7.4)
3.9840634
Log P
3.9840634
Molar Refractivity
77.881
Polarizability
30.712399
Polar Surface Area
55.4
Rotatable Bonds
6
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
暂无数据
点击上传数据
References
Bioactivity
Navigation