Molecule

ID:66261

General Information
Structure
MolImage
Molecular Formula
C₁₁H₅ClN₂O₂S₂
Molecular Mass
296.7526
Exact Mass
295.94809709
Charge
0
InChI
InChI=1S/C11H5ClN2O2S2/c12-9-8(5-15)17-11(14-9)18-10-13-6-3-1-2-4-7(6)16-10/h1-5H
InChIKey
DQZBFIQOZBGWID-UHFFFAOYSA-N
Canonic Smiles
O=Cc1sc(nc1Cl)Sc1nc2c(o1)cccc2
Isomeric Smiles
s1c(nc(c1C=O)Cl)Sc1oc2c(n1)cccc2
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.2050714
LogD (pH = 7.4)
4.2050714
Log P
4.2050714
Molar Refractivity
71.7964
Polarizability
28.220377
Polar Surface Area
55.99
Rotatable Bonds
3
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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