Molecule

ID:36778

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂N₂OS₂
Molecular Mass
300.39858
Exact Mass
300.03910501
Charge
0
InChI
InChI=1S/C15H12N2OS2/c1-10-7-8-20-13(10)9-12-14(18)17(15(19)16-12)11-5-3-2-4-6-11/h2-9H,1H3,(H,16,19)/b12-9+
InChIKey
KSKNANMBXPZWTL-FMIVXFBMSA-N
Canonic Smiles
SC1=N/C(=C/c2sccc2C)/C(=O)N1c1ccccc1
Isomeric Smiles
N1(C(=N/C(=C/c2c(ccs2)C)/C1=O)S)c1ccccc1
Calculated Properties
JChem
Acid pKa
6.170667
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.2411494
LogD (pH = 7.4)
3.4106882
Log P
4.3185587
Molar Refractivity
84.9816
Polarizability
31.810717
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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