Molecule

ID:67611

General Information
Structure
MolImage
Molecular Formula
C₇H₆N₂S
Molecular Mass
150.20094
Exact Mass
150.0251692
Charge
0
InChI
InChI=1S/C7H6N2S/c8-7-5-3-1-2-4-6(5)10-9-7/h1-4H,(H2,8,9)
InChIKey
WIJQCPIRWXSWQG-UHFFFAOYSA-N
Canonic Smiles
Nc1nsc2c1cccc2
Isomeric Smiles
s1nc(c2ccccc12)N
Calculated Properties
JChem
Acid pKa
18.885214
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8027452
LogD (pH = 7.4)
1.8039582
Log P
1.8039737
Molar Refractivity
43.2472
Polarizability
16.751564
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
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Molecule Details
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References
Bioactivity
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