Molecule

ID:24523

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁N₃S
Molecular Mass
169.24734
Exact Mass
169.06736837
Charge
0
InChI
InChI=1S/C7H11N3S/c8-4-6-5-11-7-9-2-1-3-10(6)7/h5H,1-4,8H2
InChIKey
VOBPQLHBOFJXQA-UHFFFAOYSA-N
Canonic Smiles
NCc1csc2=NCCCn12
Isomeric Smiles
c12=NCCCn1c(cs2)CN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.5822444
LogD (pH = 7.4)
-0.8984841
Log P
-0.5017945
Molar Refractivity
49.0967
Polarizability
18.402344
Polar Surface Area
41.62
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