Molecule

ID:34199

General Information
Structure
MolImage
Molecular Formula
C₇H₈N₂O₃S₂
Molecular Mass
232.28002
Exact Mass
231.99763413
Charge
0
InChI
InChI=1S/C7H8N2O3S2/c1-9-4-5(8-10)7-6(2-3-13-7)14(9,11)12/h2-3,10H,4H2,1H3/b8-5-
InChIKey
PJVSHEYUKKVEEC-YVMONPNESA-N
Canonic Smiles
O/N=C\1/CN(C)S(=O)(=O)c2c1scc2
Isomeric Smiles
s1ccc2c1/C(=N\O)/CN(S2(=O)=O)C
Calculated Properties
JChem
Acid pKa
4.4997873
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.81572914
LogD (pH = 7.4)
-2.055251
Log P
0.20796642
Molar Refractivity
52.5646
Polarizability
20.670511
Polar Surface Area
69.97
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