Molecule

ID:125838

General Information
Structure
MolImage
Molecular Formula
H₆N₂O₃S
Molecular Mass
114.12424
Exact Mass
114.00991306
Charge
0
InChI
InChI=1S/H3NO3S.H3N/c1-5(2,3)4;/h(H3,1,2,3,4);1H3
InChIKey
GEHMBYLTCISYNY-UHFFFAOYSA-N
Canonic Smiles
[O-]S(=O)(=O)N.[NH4+]
Isomeric Smiles
[O-]S(=O)(=O)N.[NH4+]
Calculated Properties
JChem
Acid pKa
-1.810121
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.7928216
LogD (pH = 7.4)
-3.7928267
Log P
-1.416428
Molar Refractivity
14.1845
Polarizability
6.7155023
Polar Surface Area
83.22
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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