Molecule

ID:55224

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅Cl₂N₃S
Molecular Mass
256.1958
Exact Mass
255.03637386
Charge
0
InChI
InChI=1S/C8H13N3S.2ClH/c9-5-7-6-12-8(10-7)11-3-1-2-4-11;;/h6H,1-5,9H2;2*1H
InChIKey
FTYBATITBQIEFA-UHFFFAOYSA-N
Canonic Smiles
NCc1csc(n1)N1CCCC1.Cl.Cl
Isomeric Smiles
c1(nc(cs1)CN)N1CCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.5777564
LogD (pH = 7.4)
0.068704896
Log P
1.0373702
Molar Refractivity
50.6605
Polarizability
19.24637
Polar Surface Area
42.15
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