Molecule

ID:83997

General Information
Structure
MolImage
Molecular Formula
C₈H₈N₂S
Molecular Mass
164.22752
Exact Mass
164.04081927
Charge
0
InChI
InChI=1S/C8H8N2S/c1-5-3-7-8(4-6(5)2)10-11-9-7/h3-4H,1-2H3
InChIKey
QQCMLCGOLBUDJF-UHFFFAOYSA-N
Canonic Smiles
Cc1cc2nsnc2cc1C
Isomeric Smiles
s1nc2c(n1)cc(c(c2)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.143717
LogD (pH = 7.4)
3.1437175
Log P
3.1437175
Molar Refractivity
46.6228
Polarizability
18.315496
Polar Surface Area
25.78
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
No Data Available
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Molecule Details
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References
Bioactivity
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