Molecule

ID:64211

General Information
Structure
Molecular Formula
C₅H₆N₂S
Molecular Mass
126.17954
Exact Mass
126.0251692
Charge
0
InChI
InChI=1S/C5H6N2S/c1-8-5-6-3-2-4-7-5/h2-4H,1H3
InChIKey
FOEMIZSFFWGXHX-UHFFFAOYSA-N
Canonic Smiles
CSc1ncccn1
Isomeric Smiles
c1(ncccn1)SC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.356646
LogD (pH = 7.4)
1.3567375
Log P
1.3567386
Molar Refractivity
35.4272
Polarizability
13.453969
Polar Surface Area
25.78
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