Molecule
ID:117212
General Information
Molecular Formula
C₆H₈N₂S
Molecular Mass
140.20612
Exact Mass
140.04081927
Charge
0
InChI
InChI=1S/C6H8N2S/c7-6-4-2-1-3-5(4)8-9-6/h1-3,7H2
InChIKey
PQLLGFHUNXLZCZ-UHFFFAOYSA-N
Canonic Smiles
Nc1snc2c1CCC2
Isomeric Smiles
c12c(snc1CCC2)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1078299
LogD (pH = 7.4)
1.1608118
Log P
1.1615309
Molar Refractivity
38.3167
Polarizability
13.897852
Polar Surface Area
38.91
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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