Molecule

ID:73615

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₂S
Molecular Mass
214.2862
Exact Mass
214.05646933
Charge
0
InChI
InChI=1S/C12H10N2S/c13-8-12(10-6-7-15-9-10)14-11-4-2-1-3-5-11/h1-7,9,12,14H
InChIKey
GWPXWDSCQZHEAL-UHFFFAOYSA-N
Canonic Smiles
N#CC(c1cscc1)Nc1ccccc1
Isomeric Smiles
N#CC(c1cscc1)Nc1ccccc1
Calculated Properties
JChem
Acid pKa
12.6487875
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6988275
LogD (pH = 7.4)
2.6988251
Log P
2.6988275
Molar Refractivity
62.7794
Polarizability
23.229836
Polar Surface Area
35.82
Rotatable Bonds
3
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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