Molecule

ID:69634

General Information
Structure
MolImage
Molecular Formula
C₇H₆N₂S
Molecular Mass
150.20094
Exact Mass
150.0251692
Charge
0
InChI
InChI=1S/C7H6N2S/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)
InChIKey
YHMYGUUIMTVXNW-UHFFFAOYSA-N
Canonic Smiles
Sc1nc2c([nH]1)cccc2
Isomeric Smiles
c1(nc2c([nH]1)cccc2)S
Calculated Properties
JChem
Acid pKa
8.201472
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
2.0025704
LogD (pH = 7.4)
1.9754032
Log P
2.036961
Molar Refractivity
42.4516
Polarizability
17.7412
Polar Surface Area
28.68
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
References
Bioactivity
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