Molecule

ID:52539

General Information
Structure
MolImage
Molecular Formula
C₈H₄N₂S₂
Molecular Mass
192.26076
Exact Mass
191.98159014
Charge
0
InChI
InChI=1S/C8H4N2S2/c11-5-9-7-3-1-2-4-8(7)10-6-12/h1-4H
InChIKey
RPFLVLIPBDQGAQ-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccccc1N=C=S
Isomeric Smiles
c1(c(cccc1)N=C=S)N=C=S
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.016896
LogD (pH = 7.4)
4.0168962
Log P
4.0168962
Molar Refractivity
60.1838
Polarizability
21.745329
Polar Surface Area
24.72
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