Molecule

ID:105724

General Information
Structure
MolImage
Molecular Formula
H₄N₂O₃S
Molecular Mass
112.10836
Exact Mass
111.994263
Charge
0
InChI
InChI=1S/H4N2O3S/c1-5-6(2,3)4/h1H2,(H2,2,3,4)
InChIKey
BTXCHYCUHBGRMK-UHFFFAOYSA-N
Canonic Smiles
NOS(=O)(=O)N
Isomeric Smiles
NOS(=O)(=O)N
Calculated Properties
JChem
Acid pKa
12.361602
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.5586702
LogD (pH = 7.4)
-1.5586239
Log P
-1.558619
Molar Refractivity
19.3759
Polarizability
8.547841
Polar Surface Area
95.41
Rotatable Bonds
1
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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