Molecule

ID:123421

General Information
Structure
MolImage
Molecular Formula
C₃H₁₁N₃O₄S
Molecular Mass
185.20214
Exact Mass
185.04702685
Charge
0
InChI
InChI=1S/C3H9N3.H2O4S/c1-6(2)3(4)5;1-5(2,3)4/h1-2H3,(H3,4,5);(H2,1,2,3,4)
InChIKey
ACPFLXJEPKOPGF-UHFFFAOYSA-N
Canonic Smiles
OS(=O)(=O)O.CN(C(=N)N)C
Isomeric Smiles
S(=O)(=O)(O)O.C(=N)(N(C)C)N
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.1127086
LogD (pH = 7.4)
-3.112397
Log P
-0.6972535
Molar Refractivity
35.9281
Polarizability
9.264662
Polar Surface Area
53.11
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
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References
Bioactivity
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