Molecule

ID:110800

General Information
Structure
MolImage
Molecular Formula
CH₆N₂O₂S
Molecular Mass
110.13554
Exact Mass
110.01499844
Charge
0
InChI
InChI=1S/CH6N2O2S/c1-6(4,5)3-2/h3H,2H2,1H3
InChIKey
VKHZYWVEBNIRLX-UHFFFAOYSA-N
Canonic Smiles
NNS(=O)(=O)C
Isomeric Smiles
CS(=O)(=O)NN
Calculated Properties
JChem
Acid pKa
13.546087
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.8318862
LogD (pH = 7.4)
-1.831725
Log P
-1.8317252
Molar Refractivity
22.551
Polarizability
9.456835
Polar Surface Area
72.19
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
References
Bioactivity
Navigation