Molecule

ID:59599

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀N₂S
Molecular Mass
238.3076
Exact Mass
238.05646933
Charge
0
InChI
InChI=1S/C14H10N2S/c17-14-15-8-7-13(16-14)12-6-5-10-3-1-2-4-11(10)9-12/h1-9H,(H,15,16,17)
InChIKey
LGLGIYOFLYYPPA-UHFFFAOYSA-N
Canonic Smiles
S=c1[nH]ccc(n1)c1ccc2c(c1)cccc2
Isomeric Smiles
n1c(=S)[nH]ccc1c1cc2c(cc1)cccc2
Calculated Properties
JChem
Acid pKa
9.527825
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.8827693
LogD (pH = 7.4)
3.1378388
Log P
3.145795
Molar Refractivity
74.2624
Polarizability
29.67312
Polar Surface Area
24.39
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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