Molecule

ID:55529

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀Cl₂N₂S
Molecular Mass
201.1173
Exact Mass
199.99417469
Charge
0
InChI
InChI=1S/C5H8N2S.2ClH/c1-6-4-5-7-2-3-8-5;;/h2-3,6H,4H2,1H3;2*1H
InChIKey
YBHCLJKOUGTJIH-UHFFFAOYSA-N
Canonic Smiles
CNCc1nccs1.Cl.Cl
Isomeric Smiles
n1c(scc1)CNC.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0088365
LogD (pH = 7.4)
-0.29525954
Log P
0.2635539
Molar Refractivity
33.8414
Polarizability
13.317502
Polar Surface Area
24.92
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