Molecule

ID:113441

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀N₂O₃S
Molecular Mass
166.1988
Exact Mass
166.04121319
Charge
0
InChI
InChI=1S/C4H10N2O3S/c5-6-3-1-10(8,9)2-4(3)7/h3-4,6-7H,1-2,5H2
InChIKey
FXKXZRPSVKHXOZ-UHFFFAOYSA-N
Canonic Smiles
NNC1CS(=O)(=O)CC1O
Isomeric Smiles
S1(=O)(=O)CC(C(C1)O)NN
Calculated Properties
JChem
Acid pKa
13.676654
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-2.760739
LogD (pH = 7.4)
-2.7208586
Log P
-2.7203252
Molar Refractivity
46.1302
Polarizability
15.15248
Polar Surface Area
92.42
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
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Molecule Details
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References
Bioactivity
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