Molecule

ID:45980

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁Cl₂NO
Molecular Mass
232.10644
Exact Mass
231.02176934
Charge
0
InChI
InChI=1S/C10H11Cl2NO/c11-8-2-1-7(10(12)3-8)6-14-9-4-13-5-9/h1-3,9,13H,4-6H2
InChIKey
AMEWSFLQLUMBRG-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)COC1CNC1
Isomeric Smiles
c1(c(COC2CNC2)ccc(c1)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.37368676
LogD (pH = 7.4)
1.1992882
Log P
2.5809505
Molar Refractivity
57.6603
Polarizability
22.946213
Polar Surface Area
21.26
Rotatable Bonds
3
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