Molecule

ID:47335

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈ClNO₃
Molecular Mass
271.73992
Exact Mass
271.09752112
Charge
0
InChI
InChI=1S/C13H17NO3.ClH/c1-16-13(15)12-5-3-2-4-10(12)9-17-11-6-7-14-8-11;/h2-5,11,14H,6-9H2,1H3;1H
InChIKey
LBHVDQRVPKDNPM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccccc1COC1CNCC1.Cl
Isomeric Smiles
C(=O)(c1c(COC2CCNC2)cccc1)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.7978597
LogD (pH = 7.4)
-1.4165205
Log P
1.436298
Molar Refractivity
64.9414
Polarizability
25.440754
Polar Surface Area
47.56
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