Molecule

ID:59626

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂S
Molecular Mass
190.2648
Exact Mass
190.05646933
Charge
0
InChI
InChI=1S/C10H10N2S/c1-13-9-4-2-8(3-5-9)10-6-7-11-12-10/h2-7H,1H3,(H,11,12)
InChIKey
ABAXDZCPRLKVEN-UHFFFAOYSA-N
Canonic Smiles
CSc1ccc(cc1)c1n[nH]cc1
Isomeric Smiles
n1c(cc[nH]1)c1ccc(SC)cc1
Calculated Properties
JChem
Acid pKa
14.831
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.938543
LogD (pH = 7.4)
2.9387205
Log P
2.9387226
Molar Refractivity
57.2685
Polarizability
23.02667
Polar Surface Area
28.68
Rotatable Bonds
2
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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