Molecule

ID:86019

General Information
Structure
MolImage
Molecular Formula
C₉H₈N₂S
Molecular Mass
176.23822
Exact Mass
176.04081927
Charge
0
InChI
InChI=1S/C9H8N2S/c1-7-10-9(12-11-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey
ADYVSGWOTNOSMG-UHFFFAOYSA-N
Canonic Smiles
Cc1nsc(n1)c1ccccc1
Isomeric Smiles
n1c(c2ccccc2)snc1C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.743816
LogD (pH = 7.4)
2.7438493
Log P
2.7438498
Molar Refractivity
60.8057
Polarizability
19.277657
Polar Surface Area
25.78
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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