Molecule
ID:123420
General Information
Molecular Formula
C₂H₆N₄S
Molecular Mass
118.16084
Exact Mass
118.03131721
Charge
0
InChI
InChI=1S/C2H6N4S/c3-1(4)6-2(5)7/h(H6,3,4,5,6,7)
InChIKey
OKGXJRGLYVRVNE-UHFFFAOYSA-N
Canonic Smiles
NC(=NC(=S)N)N
Isomeric Smiles
N(=C(N)N)C(=S)N
Calculated Properties
JChem
Acid pKa
16.28835
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-1.7171069
LogD (pH = 7.4)
-0.77581424
Log P
-1.14401
Molar Refractivity
31.4774
Polarizability
12.012507
Polar Surface Area
90.42
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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