Molecule

ID:121745

General Information
Structure
MolImage
Molecular Formula
C₆H₄N₂OS
Molecular Mass
152.17376
Exact Mass
152.00443376
Charge
0
InChI
InChI=1S/C6H4N2OS/c9-5-3-1-2-4-6(5)8-10-7-4/h1-3,9H
InChIKey
HYQIDLQSPAWDSE-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc2c1nsn2
Isomeric Smiles
s1nc2c(n1)cccc2O
Calculated Properties
JChem
Acid pKa
7.275481
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.689565
LogD (pH = 7.4)
2.3337665
Log P
2.6967268
Molar Refractivity
42.0557
Polarizability
14.968698
Polar Surface Area
44.95
Rotatable Bonds
0
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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