Molecule

ID:68102

General Information
Structure
MolImage
Molecular Formula
C₇H₆N₂S
Molecular Mass
150.20094
Exact Mass
150.0251692
Charge
0
InChI
InChI=1S/C7H6N2S/c8-5-2-1-3-6-7(5)10-4-9-6/h1-4H,8H2
InChIKey
ZWUIKHROIQRWGT-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc2c1scn2
Isomeric Smiles
s1cnc2c1c(ccc2)N
Calculated Properties
JChem
Acid pKa
19.424345
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2744175
LogD (pH = 7.4)
1.284415
Log P
1.2845458
Molar Refractivity
41.8291
Polarizability
16.760084
Polar Surface Area
38.91
Rotatable Bonds
0
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
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References
Bioactivity
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