Molecule

ID:39730

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂O₂S₂
Molecular Mass
280.36588
Exact Mass
280.03401963
Charge
0
InChI
InChI=1S/C12H12N2O2S2/c1-3-16-11(15)10-12(18-14-13-10)17-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChIKey
MWHIDOPFTHEXBV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nnsc1Sc1ccc(cc1)C
Isomeric Smiles
c1(c(nns1)C(=O)OCC)Sc1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.9762852
LogD (pH = 7.4)
3.9762855
Log P
3.9762855
Molar Refractivity
73.6431
Polarizability
27.997484
Polar Surface Area
52.08
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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