Molecule

ID:44810

General Information
Structure
MolImage
Molecular Formula
C₆H₆N₂OS
Molecular Mass
154.18964
Exact Mass
154.02008382
Charge
0
InChI
InChI=1S/C6H6N2OS/c9-4-5-3-8-1-2-10-6(8)7-5/h3-4H,1-2H2
InChIKey
JSUDYMLJEPHJCU-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn2c(n1)SCC2
Isomeric Smiles
c12nc(cn1CCS2)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3441547
LogD (pH = 7.4)
1.3467213
Log P
1.3467541
Molar Refractivity
40.5747
Polarizability
15.018978
Polar Surface Area
34.89
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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