Molecule

ID:82527

General Information
Structure
MolImage
Molecular Formula
C₇H₉Cl₂N₅OS
Molecular Mass
282.15026
Exact Mass
280.99048629
Charge
0
InChI
InChI=1S/C7H9Cl2N5OS/c1-10-7(16)13-12-4(15)2-14-3-11-5(8)6(14)9/h3H,2H2,1H3,(H,12,15)(H2,10,13,16)
InChIKey
GLUGJLLOZZSAFC-UHFFFAOYSA-N
Canonic Smiles
CNC(=S)NNC(=O)Cn1cnc(c1Cl)Cl
Isomeric Smiles
n1(c(c(Cl)nc1)Cl)CC(=O)NNC(=S)NC
Calculated Properties
JChem
Acid pKa
8.461722
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
0.08150146
LogD (pH = 7.4)
0.051445037
Log P
0.08332048
Molar Refractivity
66.9185
Polarizability
25.462957
Polar Surface Area
70.98
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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