Molecule
ID:80596
General Information
Molecular Formula
C₉H₇NS₂
Molecular Mass
193.28858
Exact Mass
193.00199123
Charge
0
InChI
InChI=1S/C9H7NS2/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5H,(H2,10,11)
InChIKey
SQGQIBRTUHBEDB-UHFFFAOYSA-N
Canonic Smiles
NC(=S)c1csc2c1cccc2
Isomeric Smiles
s1cc(c2c1cccc2)C(=S)N
Calculated Properties
JChem
Acid pKa
13.056021
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
2.5897806
LogD (pH = 7.4)
2.5897813
Log P
2.5897806
Molar Refractivity
56.4674
Polarizability
22.748339
Polar Surface Area
26.02
Rotatable Bonds
1
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
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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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