Molecule

ID:27281

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂OS
Molecular Mass
170.2321
Exact Mass
170.05138395
Charge
0
InChI
InChI=1S/C7H10N2OS/c1-4-5(2)11-3-6(4)7(10)9-8/h3H,8H2,1-2H3,(H,9,10)
InChIKey
GXSYIAJXBNLPHT-UHFFFAOYSA-N
Canonic Smiles
Cc1c(csc1C)C(=O)NN
Isomeric Smiles
c1(c(c(sc1)C)C)C(=O)NN
Calculated Properties
JChem
Acid pKa
14.784083
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.4663789
LogD (pH = 7.4)
1.467125
Log P
1.4671346
Molar Refractivity
46.8238
Polarizability
16.809258
Polar Surface Area
55.12
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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