Molecule
ID:124717
General Information
Molecular Formula
C₈H₈N₂S
Molecular Mass
164.22752
Exact Mass
164.04081927
Charge
0
InChI
InChI=1S/C8H8N2S/c9-8-5-11-7-4-2-1-3-6(7)10-8/h1-4H,5H2,(H2,9,10)
InChIKey
SBZQHWWTOVFQFD-UHFFFAOYSA-N
Canonic Smiles
NC1=Nc2c(SC1)cccc2
Isomeric Smiles
N1=C(CSc2c1cccc2)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.6742234
LogD (pH = 7.4)
-0.5499518
Log P
1.1068492
Molar Refractivity
49.681
Polarizability
18.17356
Polar Surface Area
38.38
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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