Molecule

ID:32570

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀N₂S
Molecular Mass
238.3076
Exact Mass
238.05646933
Charge
0
InChI
InChI=1S/C14H10N2S/c1-3-7-11(8-4-1)13-14(17-16-15-13)12-9-5-2-6-10-12/h1-10H
InChIKey
QVGVWLHVMVQIQI-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)c1snnc1c1ccccc1
Isomeric Smiles
s1nnc(c1c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.238989
LogD (pH = 7.4)
4.238991
Log P
4.238991
Molar Refractivity
70.0405
Polarizability
29.278175
Polar Surface Area
25.78
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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