Molecule
ID:90650
General Information
Molecular Formula
C₆H₄N₂S
Molecular Mass
136.17436
Exact Mass
136.00951914
Charge
0
InChI
InChI=1S/C6H4N2S/c1-2-5-6(7-3-1)9-4-8-5/h1-4H
InChIKey
WFIHKLWVLPBMIQ-UHFFFAOYSA-N
Canonic Smiles
c1cnc2c(c1)ncs2
Isomeric Smiles
s1cnc2c1nccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2632582
LogD (pH = 7.4)
1.2632613
Log P
1.2632614
Molar Refractivity
34.9244
Polarizability
14.063394
Polar Surface Area
25.78
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
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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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