Molecule

ID:44513

General Information
Structure
Molecular Formula
C₈H₁₀N₂S
Molecular Mass
166.2434
Exact Mass
166.05646933
Charge
0
InChI
InChI=1S/C8H10N2S/c1-3-9-4-2-7(1)8-10-5-6-11-8/h1-4,8,10H,5-6H2
InChIKey
BLOGGAJNIGIFFQ-UHFFFAOYSA-N
Canonic Smiles
C1CSC(N1)c1ccncc1
Isomeric Smiles
C1(NCCS1)c1ccncc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2346233
LogD (pH = 7.4)
0.43799508
Log P
0.8726056
Molar Refractivity
47.2846
Polarizability
18.818037
Polar Surface Area
24.92
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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