Molecule

ID:59244

General Information
Structure
Molecular Formula
C₆H₆N₂S
Molecular Mass
138.19024
Exact Mass
138.0251692
Charge
0
InChI
InChI=1S/C6H6N2S/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
InChIKey
XQWBMZWDJAZPPX-UHFFFAOYSA-N
Canonic Smiles
NC(=S)c1cccnc1
Isomeric Smiles
c1(C(=S)N)cnccc1
Calculated Properties
JChem
Acid pKa
11.432747
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.47301748
LogD (pH = 7.4)
0.49581805
Log P
0.49608326
Molar Refractivity
40.9704
Polarizability
15.641925
Polar Surface Area
38.91
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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