Molecule

ID:86636

General Information
Structure
MolImage
Molecular Formula
C₆H₆N₂OS
Molecular Mass
154.18964
Exact Mass
154.02008382
Charge
0
InChI
InChI=1S/C6H6N2OS/c7-6(10)5-2-1-3-8(9)4-5/h1-4H,(H2,7,10)
InChIKey
DGQCWSAUVSDDOG-UHFFFAOYSA-N
Canonic Smiles
[O-][n+]1cccc(c1)C(=S)N
Isomeric Smiles
[n+]1(cccc(c1)C(=S)N)[O-]
Calculated Properties
JChem
Acid pKa
10.781583
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.7640756
LogD (pH = 7.4)
-0.7639128
Log P
-0.76407367
Molar Refractivity
44.6599
Polarizability
16.095188
Polar Surface Area
51.48
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
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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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