Molecule

ID:24200

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈ClNO₄
Molecular Mass
287.73932
Exact Mass
287.09243574
Charge
0
InChI
InChI=1S/C13H17NO4.ClH/c15-13(16)10-18-12-3-1-11(2-4-12)9-14-5-7-17-8-6-14;/h1-4H,5-10H2,(H,15,16);1H
InChIKey
KEOXEKQGWPASMY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)COc1ccc(cc1)CN1CCOCC1.Cl
Isomeric Smiles
c1(CN2CCOCC2)ccc(cc1)OCC(=O)O.Cl
Calculated Properties
JChem
Acid pKa
3.1904936
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.6719533
LogD (pH = 7.4)
-2.1950011
Log P
-1.6608372
Molar Refractivity
66.223
Polarizability
25.918728
Polar Surface Area
59.0
Rotatable Bonds
5
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