Molecule

ID:40837

General Information
Structure
MolImage
Molecular Formula
C₆H₁₃N₃O₃S
Molecular Mass
207.25072
Exact Mass
207.06776229
Charge
0
InChI
InChI=1S/C6H13N3O3S/c7-8-6(10)5-9-1-3-13(11,12)4-2-9/h1-5,7H2,(H,8,10)
InChIKey
ONWZKWJYAICTRG-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CN1CCS(=O)(=O)CC1
Isomeric Smiles
S1(=O)(=O)CCN(CC(=O)NN)CC1
Calculated Properties
JChem
Acid pKa
12.028319
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-2.7759547
LogD (pH = 7.4)
-2.7749312
Log P
-2.7749088
Molar Refractivity
47.9808
Polarizability
19.509985
Polar Surface Area
92.5
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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