Molecule

ID:37038

General Information
Structure
MolImage
Molecular Formula
C₂BaN₂S₃
Molecular Mass
285.5568
Exact Mass
285.82760801
Charge
0
InChI
InChI=1S/C2H2N2S3.Ba/c5-1-3-2(6)7-4-1;/h(H2,3,4,5,6);/q;+2/p-2
InChIKey
AQWKRRGGSYEDGI-UHFFFAOYSA-L
Canonic Smiles
[S-]c1snc(n1)[S-].[Ba+2]
Isomeric Smiles
s1nc(nc1[S-])[S-].[Ba+2]
Calculated Properties
JChem
Acid pKa
6.0083036
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7701281
LogD (pH = 7.4)
0.7462883
Log P
1.8824949
Molar Refractivity
30.8432
Polarizability
13.9612465
Polar Surface Area
25.78
Rotatable Bonds
0
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