Molecule
ID:123008
General Information
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)9-10-7/h1-4H,8H2
InChIKey
JSKJAICVFPRVHJ-UHFFFAOYSA-N
Canonic Smiles
Nc1snc2c1cccc2
Isomeric Smiles
c12c(snc1cccc2)N
Calculated Properties
JChem
Acid pKa
18.308613
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6511607
LogD (pH = 7.4)
1.6552045
Log P
1.6552564
Molar Refractivity
41.9375
Polarizability
16.760824
Polar Surface Area
38.91
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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