Molecule

ID:82425

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃NOS₂
Molecular Mass
263.37842
Exact Mass
263.04385604
Charge
0
InChI
InChI=1S/C13H13NOS2/c1-9-5-4-6-10(7-9)12(15)11(8-14)13(16-2)17-3/h4-7H,1-3H3
InChIKey
YLQJLZBZLQXCQF-UHFFFAOYSA-N
Canonic Smiles
N#CC(=C(SC)SC)C(=O)c1cccc(c1)C
Isomeric Smiles
N#CC(=C(SC)SC)C(=O)c1cc(ccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.1011825
LogD (pH = 7.4)
4.1011825
Log P
4.1011825
Molar Refractivity
86.0155
Polarizability
28.95792
Polar Surface Area
40.86
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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