Molecule

ID:36757

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₄N₂OS
Molecular Mass
330.40296
Exact Mass
330.08268408
Charge
0
InChI
InChI=1S/C20H14N2OS/c23-19-18(21-20(24)22(19)16-10-2-1-3-11-16)13-15-9-6-8-14-7-4-5-12-17(14)15/h1-13H,(H,21,24)/b18-13+
InChIKey
VKSZFKLTQVWHBZ-QGOAFFKASA-N
Canonic Smiles
SC1=N/C(=C/c2cccc3c2cccc3)/C(=O)N1c1ccccc1
Isomeric Smiles
N1(C(=N/C(=C/c2c3c(ccc2)cccc3)/C1=O)S)c1ccccc1
Calculated Properties
JChem
Acid pKa
6.282945
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.8205876
LogD (pH = 7.4)
4.020974
Log P
4.8817325
Molar Refractivity
99.5007
Polarizability
38.976543
Polar Surface Area
32.67
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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