Molecule

ID:58412

General Information
Structure
MolImage
Molecular Formula
C₄H₆N₄OS
Molecular Mass
158.18164
Exact Mass
158.02623183
Charge
0
InChI
InChI=1S/C4H6N4OS/c1-2-3(4(9)6-5)10-8-7-2/h5H2,1H3,(H,6,9)
InChIKey
OIZCCHUUSZFPIW-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1snnc1C
Isomeric Smiles
s1c(c(nn1)C)C(=O)NN
Calculated Properties
JChem
Acid pKa
10.009974
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.6204949
LogD (pH = 7.4)
-0.62099135
Log P
-0.6200424
Molar Refractivity
38.2941
Polarizability
13.486087
Polar Surface Area
80.9
Rotatable Bonds
1
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
References
Bioactivity
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