Molecule

ID:53996

General Information
Structure
MolImage
Molecular Formula
C₆H₈ClN₃OS
Molecular Mass
205.66522
Exact Mass
205.00766057
Charge
0
InChI
InChI=1S/C6H8ClN3OS/c7-5-8-6(9-12-5)10-1-3-11-4-2-10/h1-4H2
InChIKey
VUKCIZRKDVPTOX-UHFFFAOYSA-N
Canonic Smiles
Clc1snc(n1)N1CCOCC1
Isomeric Smiles
c1(N2CCOCC2)nsc(n1)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.8153778
LogD (pH = 7.4)
1.8153882
Log P
1.8153883
Molar Refractivity
49.5547
Polarizability
17.89596
Polar Surface Area
38.25
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