Molecule

ID:135658

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₂S
Molecular Mass
126.17954
Exact Mass
126.0251692
Charge
0
InChI
InChI=1S/C5H6N2S/c1-8-5-4-6-2-3-7-5/h2-4H,1H3
InChIKey
KBPBOWBQRUXMFV-UHFFFAOYSA-N
Canonic Smiles
CSc1cnccn1
Isomeric Smiles
CSc1cnccn1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.76057374
LogD (pH = 7.4)
0.7605756
Log P
0.76057565
Molar Refractivity
34.8166
Polarizability
13.43818
Polar Surface Area
25.78
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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