Molecule

ID:17733

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂S
Molecular Mass
190.2648
Exact Mass
190.05646933
Charge
0
InChI
InChI=1S/C10H10N2S/c1-7-9(12-10(11)13-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,11,12)
InChIKey
HTXQOROHFFYFMC-UHFFFAOYSA-N
Canonic Smiles
Nc1sc(c(n1)c1ccccc1)C
Isomeric Smiles
n1c(c(sc1N)C)c1ccccc1
Calculated Properties
JChem
Acid pKa
17.66716
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.1144366
LogD (pH = 7.4)
3.1656036
Log P
3.166299
Molar Refractivity
55.2606
Polarizability
21.954784
Polar Surface Area
38.91
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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