Molecule

ID:87299

General Information
Structure
Molecular Formula
C₅H₅N₃S
Molecular Mass
139.1783
Exact Mass
139.02041818
Charge
0
InChI
InChI=1S/C5H5N3S/c6-5(9)4-2-1-3-7-8-4/h1-3H,(H2,6,9)
InChIKey
UNTFFYYIGIRBML-UHFFFAOYSA-N
Canonic Smiles
NC(=S)c1cccnn1
Isomeric Smiles
n1nc(ccc1)C(=S)N
Calculated Properties
JChem
Acid pKa
11.491187
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.097861856
LogD (pH = 7.4)
-0.09780526
Log P
-0.09783636
Molar Refractivity
40.4617
Polarizability
14.756038
Polar Surface Area
51.8
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
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Molecule Details
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References
Bioactivity
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