Molecule

ID:26854

General Information
Structure
MolImage
Molecular Formula
C₆H₈N₂S
Molecular Mass
140.20612
Exact Mass
140.04081927
Charge
0
InChI
InChI=1S/C6H8N2S/c7-6-8-5(3-9-6)4-1-2-4/h3-4H,1-2H2,(H2,7,8)
InChIKey
FGPNVCRMNYEMEP-UHFFFAOYSA-N
Canonic Smiles
Nc1scc(n1)C1CC1
Isomeric Smiles
n1c(C2CC2)csc1N
Calculated Properties
JChem
Acid pKa
16.929804
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3221402
LogD (pH = 7.4)
1.397473
Log P
1.398529
Molar Refractivity
37.4308
Polarizability
13.970615
Polar Surface Area
38.91
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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