Molecule

ID:15042

General Information
Structure
MolImage
Molecular Formula
C₇H₄O₂S₂
Molecular Mass
184.23546
Exact Mass
183.96527137
Charge
0
InChI
InChI=1S/C7H4O2S2/c8-7(9)6-3-5-4(11-6)1-2-10-5/h1-3H,(H,8,9)
InChIKey
GVZXSZWCZGKLRS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1sc2c(c1)scc2
Isomeric Smiles
c12c(cc(s1)C(=O)O)scc2
Calculated Properties
JChem
Acid pKa
3.3084738
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.35103047
LogD (pH = 7.4)
-0.8984513
Log P
2.525841
Molar Refractivity
43.3283
Polarizability
17.55385
Polar Surface Area
37.3
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