Molecule

ID:86503

General Information
Structure
Molecular Formula
C₄H₆N₄OS
Molecular Mass
158.18164
Exact Mass
158.02623183
Charge
0
InChI
InChI=1S/C4H6N4OS/c1-2-3(9)8(5)4(10)7-6-2/h5H2,1H3,(H,7,10)
InChIKey
BRTAAZXLXLRRFH-UHFFFAOYSA-N
Canonic Smiles
Cc1n[nH]c(=S)n(c1=O)N
Isomeric Smiles
n1(c(=O)c(n[nH]c1=S)C)N
Calculated Properties
JChem
Acid pKa
7.574182
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.2750835
LogD (pH = 7.4)
-0.46194756
Log P
-0.2712782
Molar Refractivity
40.9866
Polarizability
15.353594
Polar Surface Area
70.72
Rotatable Bonds
0
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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