Molecule

ID:92137

General Information
Structure
MolImage
Molecular Formula
C₆H₆ClNO
Molecular Mass
143.57094
Exact Mass
143.0137915
Charge
0
InChI
InChI=1S/C6H6ClNO/c1-9-6-5(7)3-2-4-8-6/h2-4H,1H3
InChIKey
MSICGKUDCSUMJZ-UHFFFAOYSA-N
Canonic Smiles
COc1ncccc1Cl
Isomeric Smiles
n1c(c(ccc1)Cl)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.796376
LogD (pH = 7.4)
1.796404
Log P
1.7964044
Molar Refractivity
35.4826
Polarizability
13.882471
Polar Surface Area
22.12
Rotatable Bonds
1
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