Molecule

ID:83135

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClN₂OS
Molecular Mass
200.6454
Exact Mass
199.98111147
Charge
0
InChI
InChI=1S/C7H5ClN2OS/c8-4-6-9-7(10-11-6)5-2-1-3-12-5/h1-3H,4H2
InChIKey
YOUDLOUFERNGRO-UHFFFAOYSA-N
Canonic Smiles
ClCc1onc(n1)c1cccs1
Isomeric Smiles
n1c(CCl)onc1c1cccs1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5737906
LogD (pH = 7.4)
2.5737906
Log P
2.5737906
Molar Refractivity
58.169
Polarizability
18.154762
Polar Surface Area
38.92
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