Molecule

ID:31076

General Information
Structure
MolImage
Molecular Formula
C₈H₆N₂O₃S
Molecular Mass
210.20984
Exact Mass
210.00991306
Charge
0
InChI
InChI=1S/C8H6N2O3S/c1-4-3-14-8-9-2-5(7(12)13)6(11)10(4)8/h2-3H,1H3,(H,12,13)
InChIKey
SLUJXUKOGZUFLT-UHFFFAOYSA-N
Canonic Smiles
Cc1csc2n1c(=O)c(cn2)C(=O)O
Isomeric Smiles
n12c(=O)c(cnc1scc2C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5328047
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.2835855
LogD (pH = 7.4)
-2.688797
Log P
0.6765296
Molar Refractivity
51.7087
Polarizability
19.180351
Polar Surface Area
69.97
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