Molecule

ID:27655

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃NO₂S₂
Molecular Mass
303.39922
Exact Mass
303.03877066
Charge
0
InChI
InChI=1S/C15H13NO2S2/c1-2-18-15(17)13-9-12(20-14(13)16-10-19)8-11-6-4-3-5-7-11/h3-7,9H,2,8H2,1H3
InChIKey
QNVDXULLEWHQCI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(sc1N=C=S)Cc1ccccc1
Isomeric Smiles
c1(c(sc(c1)Cc1ccccc1)N=C=S)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.526027
LogD (pH = 7.4)
5.526027
Log P
5.526027
Molar Refractivity
85.8358
Polarizability
32.32852
Polar Surface Area
38.66
Rotatable Bonds
6
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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