Molecule

ID:54263

General Information
Structure
MolImage
Molecular Formula
C₅H₈ClN₃S
Molecular Mass
177.65512
Exact Mass
177.01274595
Charge
0
InChI
InChI=1S/C5H7N3S.ClH/c1-3-8-4(2-9-3)5(6)7;/h2H,1H3,(H3,6,7);1H
InChIKey
YYLYRAUCGUIGIE-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(cs1)C(=N)N.Cl
Isomeric Smiles
c1(C(=N)N)csc(n1)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.9314214
LogD (pH = 7.4)
-0.40811643
Log P
0.06142213
Molar Refractivity
47.0076
Polarizability
13.604148
Polar Surface Area
62.76
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