Molecule

ID:9754

General Information
Structure
MolImage
Molecular Formula
C₄H₆N₂O₂S
Molecular Mass
146.16764
Exact Mass
146.01499844
Charge
0
InChI
InChI=1S/C4H6N2O2S/c1-9(7,8)6-3-2-5-4-6/h2-4H,1H3
InChIKey
ZBHRCOWHFHJZFP-UHFFFAOYSA-N
Canonic Smiles
CS(=O)(=O)n1cncc1
Isomeric Smiles
S(=O)(=O)(n1cncc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.3450493
LogD (pH = 7.4)
-1.3305664
Log P
-1.3303763
Molar Refractivity
31.8841
Polarizability
13.247035
Polar Surface Area
51.96
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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