Molecule

ID:124718

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁N₃S₂
Molecular Mass
189.30164
Exact Mass
189.03943937
Charge
0
InChI
InChI=1S/C6H11N3S2/c1-6(2,3)10-5-8-4(7)11-9-5/h1-3H3,(H2,7,8,9)
InChIKey
JHPIQRDBHQZJIA-UHFFFAOYSA-N
Canonic Smiles
Nc1snc(n1)SC(C)(C)C
Isomeric Smiles
n1c(nsc1N)SC(C)(C)C
Calculated Properties
JChem
Acid pKa
14.134002
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.237987
LogD (pH = 7.4)
2.2379973
Log P
2.2379975
Molar Refractivity
51.9115
Polarizability
18.85659
Polar Surface Area
51.8
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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