Molecule

ID:43265

General Information
Structure
MolImage
Molecular Formula
C₇H₆N₂OS₂
Molecular Mass
198.26534
Exact Mass
197.99215482
Charge
0
InChI
InChI=1S/C7H6N2OS2/c8-9-7(10)6-3-5-4(12-6)1-2-11-5/h1-3H,8H2,(H,9,10)
InChIKey
GLEYHEKHGPYQOB-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1sc2c(c1)scc2
Isomeric Smiles
s1c(C(=O)NN)cc2c1ccs2
Calculated Properties
JChem
Acid pKa
13.56492
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.4218597
LogD (pH = 7.4)
1.4224153
Log P
1.4224226
Molar Refractivity
49.6346
Polarizability
19.466972
Polar Surface Area
55.12
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