Molecule

ID:55199

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClNO₃
Molecular Mass
273.7558
Exact Mass
273.11317119
Charge
0
InChI
InChI=1S/C13H19NO3.ClH/c1-16-13(15)12-8-7-11(17-12)9-14-10-5-3-2-4-6-10;/h7-8,10,14H,2-6,9H2,1H3;1H
InChIKey
WWZVEPBLOUHQIN-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(o1)CNC1CCCCC1.Cl
Isomeric Smiles
o1c(ccc1C(=O)OC)CNC1CCCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.56292486
LogD (pH = 7.4)
1.0708622
Log P
2.31459
Molar Refractivity
64.6139
Polarizability
25.316496
Polar Surface Area
51.47
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