Molecule

ID:27654

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁NO₂S₂
Molecular Mass
289.37264
Exact Mass
289.0231206
Charge
0
InChI
InChI=1S/C14H11NO2S2/c1-17-14(16)12-8-11(19-13(12)15-9-18)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKey
UPUGJYHYPFQXMG-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1sc(cc1C(=O)OC)Cc1ccccc1
Isomeric Smiles
c1(c(sc(c1)Cc1ccccc1)N=C=S)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.1692195
LogD (pH = 7.4)
5.1692195
Log P
5.1692195
Molar Refractivity
81.0872
Polarizability
30.488152
Polar Surface Area
38.66
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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