Molecule

ID:62878

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇NO₅
Molecular Mass
291.29918
Exact Mass
291.11067265
Charge
0
InChI
InChI=1S/C15H17NO5/c1-20-13-6-4-3-5-11(13)16-9-10(7-14(16)18)12(17)8-15(19)21-2/h3-6,10H,7-9H2,1-2H3
InChIKey
FTMCSNOLJDRTAV-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CC(=O)C1CC(=O)N(C1)c1ccccc1OC
Isomeric Smiles
N1(C(=O)CC(C1)C(=O)CC(=O)OC)c1c(OC)cccc1
Calculated Properties
JChem
Acid pKa
11.334292
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.1240866
LogD (pH = 7.4)
1.1240368
Log P
0.8907539
Molar Refractivity
74.1456
Polarizability
28.950474
Polar Surface Area
72.91
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