Molecule

ID:46008

General Information
Structure
MolImage
Molecular Formula
C₉H₉Cl₂NO
Molecular Mass
218.07986
Exact Mass
217.00611927
Charge
0
InChI
InChI=1S/C9H9Cl2NO/c10-6-1-2-8(11)9(3-6)13-7-4-12-5-7/h1-3,7,12H,4-5H2
InChIKey
GZYSYZVWBGMCCF-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1OC1CNC1)Cl
Isomeric Smiles
c1(cc(ccc1Cl)Cl)OC1CNC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.2677179
LogD (pH = 7.4)
1.4006953
Log P
2.5475025
Molar Refractivity
52.5564
Polarizability
21.117819
Polar Surface Area
21.26
Rotatable Bonds
2
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